N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine

C19H28ClN — CID 81026555

IUPACN-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H28ClN/c1-2-4-14-7-8-16(13-21-18-9-10-18)19(11-14)15-5-3-6-17(20)12-15/h3,5-6,12,14,16,18-19,21H,2,4,7-11,13H2,1H3
InChIKeyWTNRSVFSLBAYQC-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.39
Rot. Bonds6

About N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine

N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81026555) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
PubChem CID81026555
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC NameN-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H28ClN/c1-2-4-14-7-8-16(13-21-18-9-10-18)19(11-14)15-5-3-6-17(20)12-15/h3,5-6,12,14,16,18-19,21H,2,4,7-11,13H2,1H3
InChIKeyWTNRSVFSLBAYQC-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140
N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
CID 81023628
(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
CID 125452847
1-[2-(3,5-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029451
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine (CID 81026555) is N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine is CCCC1CCC(CNC2CC2)C(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is WTNRSVFSLBAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN/c1-2-4-14-7-8-16(13-21-18-9-10-18)19(11-14)15-5-3-6-17(20)12-15/h3,5-6,12,14,16,18-19,21H,2,4,7-11,13H2,1H3.
What are the key properties of N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 305.89 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81026555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).