2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

C16H24ClN — CID 55188048

IUPAC2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-3-18-16-8-7-12(2)9-14(16)10-13-5-4-6-15(17)11-13/h4-6,11-12,14,16,18H,3,7-10H2,1-2H3
InChIKeyFFZOAYRRCSYAGQ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.30
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 55188048) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID55188048
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-3-18-16-8-7-12(2)9-14(16)10-13-5-4-6-15(17)11-13/h4-6,11-12,14,16,18H,3,7-10H2,1-2H3
InChIKeyFFZOAYRRCSYAGQ-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
CID 55041287
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 55188048) is 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is FFZOAYRRCSYAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-18-16-8-7-12(2)9-14(16)10-13-5-4-6-15(17)11-13/h4-6,11-12,14,16,18H,3,7-10H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55188048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).