2-anilinopropan-1-ol

C9H13NO — CID 10898874

IUPAC2-anilinopropan-1-ol
SMILESCC(CO)Nc1ccccc1
InChIInChI=1S/C9H13NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyYKDVNAIVOFRLQX-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.48
Rot. Bonds3

About 2-anilinopropan-1-ol

2-anilinopropan-1-ol (PubChem CID 10898874) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-anilinopropan-1-ol.

Molecular Properties

Compound Name2-anilinopropan-1-ol
PubChem CID10898874
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-anilinopropan-1-ol
SMILESCC(CO)Nc1ccccc1
InChIInChI=1S/C9H13NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyYKDVNAIVOFRLQX-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-anilinopropan-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

N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N-Butylaniline
CID 14310
N-Phenyl diethanolamine
CID 8416
N-Allylaniline
CID 68525
N-Phenylglycine
CID 66025
N-(2-Hydroxyethyl)aniline
CID 31235
2-(N-ethylanilino)ethanol
CID 62338
2-Hydroxy-N-phenylacetamide
CID 264260
2-(N-Methylanilino)ethanol
CID 62340
Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-
CID 113349
2-(o-Toluidino)ethanol
CID 8703

Frequently Asked Questions

What is the IUPAC name of 2-anilinopropan-1-ol?
The IUPAC name of 2-anilinopropan-1-ol (CID 10898874) is 2-anilinopropan-1-ol.
What is the SMILES notation for 2-anilinopropan-1-ol?
The canonical SMILES for 2-anilinopropan-1-ol is CC(CO)Nc1ccccc1.
What is the InChIKey of 2-anilinopropan-1-ol?
The InChIKey is YKDVNAIVOFRLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3.
What are the key properties of 2-anilinopropan-1-ol?
2-anilinopropan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopropan-1-ol is sourced from PubChem (CID 10898874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).