3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol

C12H19NO2 — CID 82312246

IUPAC3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc(C(O)CNCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10-3-5-11(6-4-10)12(15)9-13-7-2-8-14/h3-6,12-15H,2,7-9H2,1H3
InChIKeyXGISHZBWTGPQMU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.00
Rot. Bonds6

About 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol

3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol (PubChem CID 82312246) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
PubChem CID82312246
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc(C(O)CNCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10-3-5-11(6-4-10)12(15)9-13-7-2-8-14/h3-6,12-15H,2,7-9H2,1H3
InChIKeyXGISHZBWTGPQMU-UHFFFAOYSA-N
XLogP1.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]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-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
CID 82312260
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
CID 82315649
4-(methylamino)-1-(4-methylphenyl)butan-1-ol
CID 23009156
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol (CID 82312246) is 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol is Cc1ccc(C(O)CNCCCO)cc1.
What is the InChIKey of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is XGISHZBWTGPQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-3-5-11(6-4-10)12(15)9-13-7-2-8-14/h3-6,12-15H,2,7-9H2,1H3.
What are the key properties of 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol?
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 82312246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).