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

C15H15ClFNO — CID 171263945

IUPAC(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1cccc(Cl)c1F)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-12-8-4-7-11(14(12)17)15(18)13(19)9-10-5-2-1-3-6-10/h1-8,13,15,19H,9,18H2/t13-,15+/m0/s1
InChIKeyDWFNQUIRGGMBCI-DZGCQCFKSA-N
MW279.74 g/mol
LogP3.08
Rot. Bonds4

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

(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol (PubChem CID 171263945) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
PubChem CID171263945
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1cccc(Cl)c1F)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-12-8-4-7-11(14(12)17)15(18)13(19)9-10-5-2-1-3-6-10/h1-8,13,15,19H,9,18H2/t13-,15+/m0/s1
InChIKeyDWFNQUIRGGMBCI-DZGCQCFKSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
CID 171268024
2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol
CID 114488231
(1S,2R)-1-amino-1-(3,6-dichloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171271557
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171269091
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263417
(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
CID 171262225
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 171269901
(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269826
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol (CID 171263945) is (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol is N[C@H](c1cccc(Cl)c1F)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol?
The InChIKey is DWFNQUIRGGMBCI-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-12-8-4-7-11(14(12)17)15(18)13(19)9-10-5-2-1-3-6-10/h1-8,13,15,19H,9,18H2/t13-,15+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol?
(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol has a molecular weight of 279.74 g/mol, XLogP of 3.08, 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-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171263945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).