N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine

C17H26ClN — CID 43103111

IUPACN-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCC(NC1CCCC(C)C1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-4-16(14-8-10-15(18)11-9-14)19-17-7-5-6-12(2)13(17)3/h8-13,16-17,19H,4-7H2,1-3H3
InChIKeyXYNRKKFLCBIARQ-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.21
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine

N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 43103111) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID43103111
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCC(NC1CCCC(C)C1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-4-16(14-8-10-15(18)11-9-14)19-17-7-5-6-12(2)13(17)3/h8-13,16-17,19H,4-7H2,1-3H3
InChIKeyXYNRKKFLCBIARQ-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

N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine
CID 64909731
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine (CID 43103111) is N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine is CCC(NC1CCCC(C)C1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is XYNRKKFLCBIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-16(14-8-10-15(18)11-9-14)19-17-7-5-6-12(2)13(17)3/h8-13,16-17,19H,4-7H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine?
N-[1-(4-chlorophenyl)propyl]-2,3-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]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43103111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).