2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine

C15H22ClN — CID 55185968

IUPAC2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClN/c1-2-11-7-8-15(17)13(9-11)10-12-5-3-4-6-14(12)16/h3-6,11,13,15H,2,7-10,17H2,1H3
InChIKeyNHYFDXJHGXUBOF-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.04
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine

2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 55185968) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID55185968
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClN/c1-2-11-7-8-15(17)13(9-11)10-12-5-3-4-6-14(12)16/h3-6,11,13,15H,2,7-10,17H2,1H3
InChIKeyNHYFDXJHGXUBOF-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
CID 107307078
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
CID 63461697
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine (CID 55185968) is 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is NHYFDXJHGXUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-2-11-7-8-15(17)13(9-11)10-12-5-3-4-6-14(12)16/h3-6,11,13,15H,2,7-10,17H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 55185968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).