[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol

C16H25NO — CID 79135617

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
SMILESCCC1CCCC(CN)(C(O)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-2-13-7-6-10-16(11-13,12-17)15(18)14-8-4-3-5-9-14/h3-5,8-9,13,15,18H,2,6-7,10-12,17H2,1H3
InChIKeyMSZUJYUZOOPLOK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.27
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol

[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol (PubChem CID 79135617) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
PubChem CID79135617
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
SMILESCCC1CCCC(CN)(C(O)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-2-13-7-6-10-16(11-13,12-17)15(18)14-8-4-3-5-9-14/h3-5,8-9,13,15,18H,2,6-7,10-12,17H2,1H3
InChIKeyMSZUJYUZOOPLOK-UHFFFAOYSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol (CID 79135617) is [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol is CCC1CCCC(CN)(C(O)c2ccccc2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol?
The InChIKey is MSZUJYUZOOPLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-13-7-6-10-16(11-13,12-17)15(18)14-8-4-3-5-9-14/h3-5,8-9,13,15,18H,2,6-7,10-12,17H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol has a molecular weight of 247.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol is sourced from PubChem (CID 79135617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).