N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine

C17H26ClN — CID 63994473

IUPACN-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-4-16(14-6-8-15(18)9-7-14)19-17-10-5-12(2)11-13(17)3/h6-9,12-13,16-17,19H,4-5,10-11H2,1-3H3
InChIKeyTZRBIZZAPYXMJV-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.21
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine

N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994473) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994473
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-4-16(14-6-8-15(18)9-7-14)19-17-10-5-12(2)11-13(17)3/h6-9,12-13,16-17,19H,4-5,10-11H2,1-3H3
InChIKeyTZRBIZZAPYXMJV-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 63994661
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
CID 43103111
N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine
CID 64909731
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
CID 64762199
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 64774961
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43434325
N-[1-(5-fluoro-2-pyridinyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 112583154

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine (CID 63994473) is N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine is CCC(NC1CCC(C)CC1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is TZRBIZZAPYXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-16(14-6-8-15(18)9-7-14)19-17-10-5-12(2)11-13(17)3/h6-9,12-13,16-17,19H,4-5,10-11H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine?
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).