1-(4-methylphenyl)-2-(propylamino)propan-1-ol

C13H21NO — CID 82312296

IUPAC1-(4-methylphenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)C(O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-4-9-14-11(3)13(15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3
InChIKeyFIBSZKDHPNEGIC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-methylphenyl)-2-(propylamino)propan-1-ol

1-(4-methylphenyl)-2-(propylamino)propan-1-ol (PubChem CID 82312296) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(propylamino)propan-1-ol
PubChem CID82312296
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methylphenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)C(O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-4-9-14-11(3)13(15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3
InChIKeyFIBSZKDHPNEGIC-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-2-(propylamino)propan-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

Related Compounds

2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
CID 82312351
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
4-hydroxy-4-(4-methylphenyl)-3-(propylamino)butanoic acid
CID 82347436
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
CID 82315715
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
CID 82312644

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(propylamino)propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-2-(propylamino)propan-1-ol (CID 82312296) is 1-(4-methylphenyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-2-(propylamino)propan-1-ol is CCCNC(C)C(O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(propylamino)propan-1-ol?
The InChIKey is FIBSZKDHPNEGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-9-14-11(3)13(15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-(propylamino)propan-1-ol?
1-(4-methylphenyl)-2-(propylamino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 82312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).