1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol

C9H13FN2O — CID 55293130

IUPAC1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
SMILESCC(O)C(N)c1cccc(F)c1N
InChIInChI=1S/C9H13FN2O/c1-5(13)8(11)6-3-2-4-7(10)9(6)12/h2-5,8,13H,11-12H2,1H3
InChIKeyXCESKJFXDMNMCV-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.79
Rot. Bonds2

About 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol

1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol (PubChem CID 55293130) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
PubChem CID55293130
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
SMILESCC(O)C(N)c1cccc(F)c1N
InChIInChI=1S/C9H13FN2O/c1-5(13)8(11)6-3-2-4-7(10)9(6)12/h2-5,8,13H,11-12H2,1H3
InChIKeyXCESKJFXDMNMCV-UHFFFAOYSA-N
XLogP0.79
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-1-(2-amino-3-fluorophenyl)propan-2-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

1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1S,2S)-1-amino-1-(2,3-diaminophenyl)propan-2-ol
CID 55294728
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130657386
(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol
CID 55270630
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
2-(1-aminopropyl)-6-fluoroaniline
CID 55282936

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol (CID 55293130) is 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol is CC(O)C(N)c1cccc(F)c1N.
What is the InChIKey of 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol?
The InChIKey is XCESKJFXDMNMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5(13)8(11)6-3-2-4-7(10)9(6)12/h2-5,8,13H,11-12H2,1H3.
What are the key properties of 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol?
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 55293130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).