1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol

C17H27NO — CID 79138486

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
SMILESCC(CC(O)C1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(15-8-4-2-5-9-15)12-16(19)17(13-18)10-6-3-7-11-17/h2,4-5,8-9,14,16,19H,3,6-7,10-13,18H2,1H3
InChIKeyCAHWGOJYNGINSH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds5

About 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol

1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol (PubChem CID 79138486) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
PubChem CID79138486
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
SMILESCC(CC(O)C1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(15-8-4-2-5-9-15)12-16(19)17(13-18)10-6-3-7-11-17/h2,4-5,8-9,14,16,19H,3,6-7,10-13,18H2,1H3
InChIKeyCAHWGOJYNGINSH-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol 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-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol (CID 79138486) is 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol is CC(CC(O)C1(CN)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol?
The InChIKey is CAHWGOJYNGINSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(15-8-4-2-5-9-15)12-16(19)17(13-18)10-6-3-7-11-17/h2,4-5,8-9,14,16,19H,3,6-7,10-13,18H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol?
1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol is sourced from PubChem (CID 79138486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).