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

C15H15Cl2NO — CID 171268024

IUPAC(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
SMILESN[C@@H](c1cccc(Cl)c1Cl)[C@H](O)Cc1ccccc1
InChIInChI=1S/C15H15Cl2NO/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+/m1/s1
InChIKeyYFJGQKFAYWGUKX-HIFRSBDPSA-N
MW296.20 g/mol
LogP3.60
Rot. Bonds4

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

(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol (PubChem CID 171268024) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
PubChem CID171268024
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
SMILESN[C@@H](c1cccc(Cl)c1Cl)[C@H](O)Cc1ccccc1
InChIInChI=1S/C15H15Cl2NO/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+/m1/s1
InChIKeyYFJGQKFAYWGUKX-HIFRSBDPSA-N
XLogP3.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171263945
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
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162648
(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
CID 171262225
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171268023
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
CID 171261805
(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
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263417
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171269091

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol (CID 171268024) is (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol is N[C@@H](c1cccc(Cl)c1Cl)[C@H](O)Cc1ccccc1.
What is the InChIKey of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol?
The InChIKey is YFJGQKFAYWGUKX-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H15Cl2NO/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+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol?
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol has a molecular weight of 296.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171268024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).