1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride

C9H12ClF2NO — CID 54593269

IUPAC1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
SMILESCC(O)(CN)c1ccc(F)cc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-9(13,5-12)7-3-2-6(10)4-8(7)11;/h2-4,13H,5,12H2,1H3;1H
InChIKeyLNVDZHMIZRVSGM-UHFFFAOYSA-N
MW223.65 g/mol
LogP1.55
Rot. Bonds2

About 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride

1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride (PubChem CID 54593269) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
PubChem CID54593269
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
SMILESCC(O)(CN)c1ccc(F)cc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-9(13,5-12)7-3-2-6(10)4-8(7)11;/h2-4,13H,5,12H2,1H3;1H
InChIKeyLNVDZHMIZRVSGM-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride 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-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 83819577
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
1-tert-butyl-2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]guanidine
CID 111823785
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride (CID 54593269) is 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride is CC(O)(CN)c1ccc(F)cc1F.Cl.
What is the InChIKey of 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride?
The InChIKey is LNVDZHMIZRVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-9(13,5-12)7-3-2-6(10)4-8(7)11;/h2-4,13H,5,12H2,1H3;1H.
What are the key properties of 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride?
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 54593269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).