N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine

C17H26ClN — CID 64762199

IUPACN-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)CCC1C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-4-16(14-6-5-7-15(18)11-14)19-17-10-12(2)8-9-13(17)3/h5-7,11-13,16-17,19H,4,8-10H2,1-3H3
InChIKeyBCPUYUIDCAFQBS-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.21
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine

N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64762199) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64762199
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)CCC1C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-4-16(14-6-5-7-15(18)11-14)19-17-10-12(2)8-9-13(17)3/h5-7,11-13,16-17,19H,4,8-10H2,1-3H3
InChIKeyBCPUYUIDCAFQBS-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 ≤ 500279.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile
CID 55151786
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine (CID 64762199) is N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine is CCC(NC1CC(C)CCC1C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is BCPUYUIDCAFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-16(14-6-5-7-15(18)11-14)19-17-10-12(2)8-9-13(17)3/h5-7,11-13,16-17,19H,4,8-10H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine?
N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 279.85 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-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64762199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).