2-(2-ethylcyclohexyl)-1-phenylethanamine

C16H25N — CID 81013913

IUPAC2-(2-ethylcyclohexyl)-1-phenylethanamine
SMILESCCC1CCCCC1CC(N)c1ccccc1
InChIInChI=1S/C16H25N/c1-2-13-8-6-7-11-15(13)12-16(17)14-9-4-3-5-10-14/h3-5,9-10,13,15-16H,2,6-8,11-12,17H2,1H3
InChIKeyRRIYQJQSGGCJIJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.29
Rot. Bonds4

About 2-(2-ethylcyclohexyl)-1-phenylethanamine

2-(2-ethylcyclohexyl)-1-phenylethanamine (PubChem CID 81013913) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)-1-phenylethanamine
PubChem CID81013913
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(2-ethylcyclohexyl)-1-phenylethanamine
SMILESCCC1CCCCC1CC(N)c1ccccc1
InChIInChI=1S/C16H25N/c1-2-13-8-6-7-11-15(13)12-16(17)14-9-4-3-5-10-14/h3-5,9-10,13,15-16H,2,6-8,11-12,17H2,1H3
InChIKeyRRIYQJQSGGCJIJ-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-ethylcyclohexyl)-1-phenylethanamine 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

3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64502784
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354
1-(2-ethylcyclohexyl)-2-phenylpropan-1-one
CID 114029031
3-(3-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64505370
(2-ethylcyclohexyl)-(1-phenylcyclobutyl)methanamine
CID 63862737
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)-1-phenylethanamine?
The IUPAC name of 2-(2-ethylcyclohexyl)-1-phenylethanamine (CID 81013913) is 2-(2-ethylcyclohexyl)-1-phenylethanamine.
What is the SMILES notation for 2-(2-ethylcyclohexyl)-1-phenylethanamine?
The canonical SMILES for 2-(2-ethylcyclohexyl)-1-phenylethanamine is CCC1CCCCC1CC(N)c1ccccc1.
What is the InChIKey of 2-(2-ethylcyclohexyl)-1-phenylethanamine?
The InChIKey is RRIYQJQSGGCJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-13-8-6-7-11-15(13)12-16(17)14-9-4-3-5-10-14/h3-5,9-10,13,15-16H,2,6-8,11-12,17H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)-1-phenylethanamine?
2-(2-ethylcyclohexyl)-1-phenylethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)-1-phenylethanamine is sourced from PubChem (CID 81013913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).