[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

C16H24ClN — CID 65391761

IUPAC[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN/c1-15(2)6-8-16(12-18,9-7-15)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12,18H2,1-2H3
InChIKeyLYKYIFAMYYQCAK-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.43
Rot. Bonds3

About [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 65391761) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
PubChem CID65391761
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN/c1-15(2)6-8-16(12-18,9-7-15)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12,18H2,1-2H3
InChIKeyLYKYIFAMYYQCAK-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392356
[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105410611
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
CID 82284005
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682618
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (CID 65391761) is [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is CC1(C)CCC(CN)(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is LYKYIFAMYYQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-15(2)6-8-16(12-18,9-7-15)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12,18H2,1-2H3.
What are the key properties of [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 265.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 65391761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).