3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine

C16H25NO — CID 25255401

IUPAC3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine
SMILESNCCCc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h4,8,10,12,15H,1-3,5-7,9,11,13,17H2
InChIKeyIPQJGLPIYPNWKY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds6

About 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine

3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine (PubChem CID 25255401) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine
PubChem CID25255401
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine
SMILESNCCCc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h4,8,10,12,15H,1-3,5-7,9,11,13,17H2
InChIKeyIPQJGLPIYPNWKY-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine 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

Fluoxetine
CID 3386
Atomoxetine
CID 54841
Atomoxetine Hydrochloride
CID 54840
Norfluoxetine
CID 4541
Bifemelane
CID 2377
Seproxetine
CID 3058751
Emixustat
CID 25221720
3-Methoxyphenethylamine
CID 74866
(R)-Norfluoxetine
CID 9797657
(S)-Fluoxetine
CID 1548968
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 6850813
(+)-Fluoxetine
CID 1548970

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine (CID 25255401) is 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine is NCCCc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine?
The InChIKey is IPQJGLPIYPNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h4,8,10,12,15H,1-3,5-7,9,11,13,17H2.
What are the key properties of 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine?
3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 25255401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).