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

C15H15ClFNO — CID 171262225

IUPAC(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1ccc(F)cc1Cl)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-13-9-11(17)6-7-12(13)15(18)14(19)8-10-4-2-1-3-5-10/h1-7,9,14-15,19H,8,18H2/t14-,15+/m0/s1
InChIKeyYHEMTQKJCXPXDM-LSDHHAIUSA-N
MW279.74 g/mol
LogP3.08
Rot. Bonds4

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

(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol (PubChem CID 171262225) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
PubChem CID171262225
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1ccc(F)cc1Cl)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-13-9-11(17)6-7-12(13)15(18)14(19)8-10-4-2-1-3-5-10/h1-7,9,14-15,19H,8,18H2/t14-,15+/m0/s1
InChIKeyYHEMTQKJCXPXDM-LSDHHAIUSA-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

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Related Compounds

(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
CID 171161362
(1R,2S)-1-amino-1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 171261843
(1R,2S)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263833
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267965
(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171263945
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
CID 171268024
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1R,2S)-1-amino-1-(5-fluoro-2-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262733
(1S,2R)-1-amino-1-(3,6-dichloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171271557
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol (CID 171262225) is (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol is N[C@H](c1ccc(F)cc1Cl)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol?
The InChIKey is YHEMTQKJCXPXDM-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-9-11(17)6-7-12(13)15(18)14(19)8-10-4-2-1-3-5-10/h1-7,9,14-15,19H,8,18H2/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol?
(1R,2S)-1-amino-1-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171262225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).