N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-(trifluoromethyl)benzamide

CAS: 72469-12-6

Molecular Formula	`C18H23F3N2O`
Molecular Weight	340.4 g/mol
LogP	3.7
Topological Polar Surface Area	32.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	340.17624
Heavy Atoms	24
Complexity	446.0

Chemical Identifiers

CAS Number	72469-12-6
SMILES	`CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)C(F)(F)F`
InChIKey	`VAZHUCJZNBKCDN-JFXOEICMSA-N`

📖 Product Overview

N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-(trifluoromethyl)benzamide (CAS: 72469-12-6) is a chemical compound with molecular formula C18H23F3N2O and molecular weight 340.4 g/mol. Its IUPAC systematic name is N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-(trifluoromethyl)benzamide. LogP 3.7 Topological Polar Surface Area 32.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 340.17624 Heavy Atoms 24 Complexity 446.0 InChI Key: VAZHUCJZNBKCDN-JFXOEICMSA-N. SMILES: CN1CCC2C(C1)CCCC2NC(=O)C3=CC=C(C=C3)C(F)(F)F.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-(trifluoromethyl)benzamide.

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