2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride

C9H13ClFNO — CID 86346411

IUPAC2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
SMILESCC(N)C(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6,9,12H,11H2,1H3;1H
InChIKeyJVTSPYLIOVIGCS-UHFFFAOYSA-N
MW205.66 g/mol
LogP1.63
Rot. Bonds2

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

2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 86346411) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID86346411
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
SMILESCC(N)C(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6,9,12H,11H2,1H3;1H
InChIKeyJVTSPYLIOVIGCS-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(4-fluorophenyl)propan-1-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

4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride (CID 86346411) is 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride is CC(N)C(O)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is JVTSPYLIOVIGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6,9,12H,11H2,1H3;1H.
What are the key properties of 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride?
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 86346411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).