[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol

C17H27NO — CID 79138792

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-17(12-18,11-9-14)16(19)15-6-4-13(2)5-7-15/h4-7,14,16,19H,3,8-12,18H2,1-2H3
InChIKeyQJVDRVNSDBANME-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol (PubChem CID 79138792) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
PubChem CID79138792
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-17(12-18,11-9-14)16(19)15-6-4-13(2)5-7-15/h4-7,14,16,19H,3,8-12,18H2,1-2H3
InChIKeyQJVDRVNSDBANME-UHFFFAOYSA-N
XLogP3.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol 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)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol (CID 79138792) is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol is CCC1CCC(CN)(C(O)c2ccc(C)cc2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
The InChIKey is QJVDRVNSDBANME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-10-17(12-18,11-9-14)16(19)15-6-4-13(2)5-7-15/h4-7,14,16,19H,3,8-12,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol is sourced from PubChem (CID 79138792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).