N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine

C18H29N — CID 55191785

IUPACN-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCC1CCC(CNC(C)c2cccc(C)c2)CC1
InChIInChI=1S/C18H29N/c1-4-16-8-10-17(11-9-16)13-19-15(3)18-7-5-6-14(2)12-18/h5-7,12,15-17,19H,4,8-11,13H2,1-3H3
InChIKeyMIPSQYQYIKDFKY-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine

N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 55191785) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID55191785
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCC1CCC(CNC(C)c2cccc(C)c2)CC1
InChIInChI=1S/C18H29N/c1-4-16-8-10-17(11-9-16)13-19-15(3)18-7-5-6-14(2)12-18/h5-7,12,15-17,19H,4,8-11,13H2,1-3H3
InChIKeyMIPSQYQYIKDFKY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63451778

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine (CID 55191785) is N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine is CCC1CCC(CNC(C)c2cccc(C)c2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is MIPSQYQYIKDFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-16-8-10-17(11-9-16)13-19-15(3)18-7-5-6-14(2)12-18/h5-7,12,15-17,19H,4,8-11,13H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine?
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55191785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).