1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine

C18H26ClN — CID 63408511

IUPAC1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine
SMILESNC1(c2cccc(Cl)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H26ClN/c19-16-10-6-9-15(13-16)18(20)12-5-4-11-17(18)14-7-2-1-3-8-14/h6,9-10,13-14,17H,1-5,7-8,11-12,20H2
InChIKeyKNCIJDDNHODYMX-UHFFFAOYSA-N
MW291.87 g/mol
LogP5.26
Rot. Bonds2

About 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine

1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine (PubChem CID 63408511) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine
PubChem CID63408511
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine
SMILESNC1(c2cccc(Cl)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H26ClN/c19-16-10-6-9-15(13-16)18(20)12-5-4-11-17(18)14-7-2-1-3-8-14/h6,9-10,13-14,17H,1-5,7-8,11-12,20H2
InChIKeyKNCIJDDNHODYMX-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine
CID 63408171
2-cyclohexyl-1-(3-fluoro-4-methylphenyl)cyclohexan-1-amine
CID 107128239
2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 79696981
2-cyclohexyl-1-(3-methylphenyl)cyclopropan-1-amine
CID 84692984
bis[2-amino-1-(3-chlorophenyl)cyclohexyl]methanone
CID 151582814
N-[1-(3-chlorophenyl)cyclopropyl]cyclopentanamine
CID 115901876
7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
CID 79331073
1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
CID 84699183
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
trans-(1R,2R)-1-(3-chlorophenyl)-2-hydroxycyclohexane-1-carboxylic acid
CID 68674879
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine (CID 63408511) is 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine is NC1(c2cccc(Cl)c2)CCCCC1C1CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine?
The InChIKey is KNCIJDDNHODYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c19-16-10-6-9-15(13-16)18(20)12-5-4-11-17(18)14-7-2-1-3-8-14/h6,9-10,13-14,17H,1-5,7-8,11-12,20H2.
What are the key properties of 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine?
1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine has a molecular weight of 291.87 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 63408511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).