[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine

C16H24ClN — CID 65392864

IUPAC[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN/c1-2-13-6-8-16(12-18,9-7-13)11-14-4-3-5-15(17)10-14/h3-5,10,13H,2,6-9,11-12,18H2,1H3
InChIKeyFESGBDNZVVFGTB-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.43
Rot. Bonds4

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

[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 65392864) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID65392864
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN/c1-2-13-6-8-16(12-18,9-7-13)11-14-4-3-5-15(17)10-14/h3-5,10,13H,2,6-9,11-12,18H2,1H3
InChIKeyFESGBDNZVVFGTB-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053
1-[(3-chlorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65392667
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 114934762
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395564
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine (CID 65392864) is [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is FESGBDNZVVFGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-13-6-8-16(12-18,9-7-13)11-14-4-3-5-15(17)10-14/h3-5,10,13H,2,6-9,11-12,18H2,1H3.
What are the key properties of [1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 265.83 g/mol, XLogP of 4.43, 4 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-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65392864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).