(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride

C15H16Cl2FNO — CID 171264003

IUPAC(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccc(Cl)c(F)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO.ClH/c16-12-7-6-11(9-13(12)17)15(18)14(19)8-10-4-2-1-3-5-10;/h1-7,9,14-15,19H,8,18H2;1H/t14-,15+;/m0./s1
InChIKeyRNDIQIDBCMJGIY-LDXVYITESA-N
MW316.20 g/mol
LogP3.50
Rot. Bonds4

About (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171264003) has the molecular formula C15H16Cl2FNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171264003
Molecular FormulaC15H16Cl2FNO
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccc(Cl)c(F)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO.ClH/c16-12-7-6-11(9-13(12)17)15(18)14(19)8-10-4-2-1-3-5-10;/h1-7,9,14-15,19H,8,18H2;1H/t14-,15+;/m0./s1
InChIKeyRNDIQIDBCMJGIY-LDXVYITESA-N
XLogP3.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-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

2-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-1-ol
CID 62720949
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171263568
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
CID 171261805
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1S,2R)-1-amino-1-(4-chloro-3-fluorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171269676
(1S,2R)-1-amino-1-(3,6-dichloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171271557
(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
CID 171264227
(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
CID 171262225
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride (CID 171264003) is (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride is Cl.N[C@H](c1ccc(Cl)c(F)c1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is RNDIQIDBCMJGIY-LDXVYITESA-N. The full InChI is InChI=1S/C15H15ClFNO.ClH/c16-12-7-6-11(9-13(12)17)15(18)14(19)8-10-4-2-1-3-5-10;/h1-7,9,14-15,19H,8,18H2;1H/t14-,15+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 316.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171264003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).