3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol

C13H21NO2 — CID 71988800

IUPAC3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol
SMILESCN(CCCO)C(CCO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-14(9-5-10-15)13(8-11-16)12-6-3-2-4-7-12/h2-4,6-7,13,15-16H,5,8-11H2,1H3
InChIKeyJNKLQXSEZFINGI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds7

About 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol

3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol (PubChem CID 71988800) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol
PubChem CID71988800
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol
SMILESCN(CCCO)C(CCO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-14(9-5-10-15)13(8-11-16)12-6-3-2-4-7-12/h2-4,6-7,13,15-16H,5,8-11H2,1H3
InChIKeyJNKLQXSEZFINGI-UHFFFAOYSA-N
XLogP1.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-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 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol (CID 71988800) is 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol is CN(CCCO)C(CCO)c1ccccc1.
What is the InChIKey of 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol?
The InChIKey is JNKLQXSEZFINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(9-5-10-15)13(8-11-16)12-6-3-2-4-7-12/h2-4,6-7,13,15-16H,5,8-11H2,1H3.
What are the key properties of 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol?
3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(methyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 71988800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).