[4-(2-hydroxypropylamino)phenyl]boronic acid

C9H14BNO3 — CID 155793577

IUPAC[4-(2-hydroxypropylamino)phenyl]boronic acid
SMILESCC(O)CNc1ccc(B(O)O)cc1
InChIInChI=1S/C9H14BNO3/c1-7(12)6-11-9-4-2-8(3-5-9)10(13)14/h2-5,7,11-14H,6H2,1H3
InChIKeyGOULYVFKOHSCLW-UHFFFAOYSA-N
MW195.03 g/mol
LogP-0.84
Rot. Bonds4

About [4-(2-hydroxypropylamino)phenyl]boronic acid

[4-(2-hydroxypropylamino)phenyl]boronic acid (PubChem CID 155793577) has the molecular formula C9H14BNO3 and a molecular weight of 195.03 g/mol. Its IUPAC name is [4-(2-hydroxypropylamino)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-hydroxypropylamino)phenyl]boronic acid
PubChem CID155793577
Molecular FormulaC9H14BNO3
Molecular Weight195.03 g/mol
Exact Mass195.11
IUPAC Name[4-(2-hydroxypropylamino)phenyl]boronic acid
SMILESCC(O)CNc1ccc(B(O)O)cc1
InChIInChI=1S/C9H14BNO3/c1-7(12)6-11-9-4-2-8(3-5-9)10(13)14/h2-5,7,11-14H,6H2,1H3
InChIKeyGOULYVFKOHSCLW-UHFFFAOYSA-N
XLogP-0.84
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-hydroxypropylamino)phenyl]boronic acid 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

[4-(2,3-dihydroxypropylamino)phenyl]boronic acid
CID 168597172
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
(2S)-1-(4-methylsulfanylanilino)propan-2-ol
CID 93345415
(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
CID 93345471
1-(4-propylanilino)propan-2-ol
CID 60884974
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
CID 59712632

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropylamino)phenyl]boronic acid?
The IUPAC name of [4-(2-hydroxypropylamino)phenyl]boronic acid (CID 155793577) is [4-(2-hydroxypropylamino)phenyl]boronic acid.
What is the SMILES notation for [4-(2-hydroxypropylamino)phenyl]boronic acid?
The canonical SMILES for [4-(2-hydroxypropylamino)phenyl]boronic acid is CC(O)CNc1ccc(B(O)O)cc1.
What is the InChIKey of [4-(2-hydroxypropylamino)phenyl]boronic acid?
The InChIKey is GOULYVFKOHSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO3/c1-7(12)6-11-9-4-2-8(3-5-9)10(13)14/h2-5,7,11-14H,6H2,1H3.
What are the key properties of [4-(2-hydroxypropylamino)phenyl]boronic acid?
[4-(2-hydroxypropylamino)phenyl]boronic acid has a molecular weight of 195.03 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropylamino)phenyl]boronic acid is sourced from PubChem (CID 155793577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).