(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol

C15H15Cl2NO — CID 171261805

IUPAC(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-12-7-11(8-13(17)9-12)15(18)14(19)6-10-4-2-1-3-5-10/h1-5,7-9,14-15,19H,6,18H2/t14-,15+/m0/s1
InChIKeySKFVDPZSPVQEFZ-LSDHHAIUSA-N
MW296.20 g/mol
LogP3.60
Rot. Bonds4

About (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol

(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol (PubChem CID 171261805) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
PubChem CID171261805
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-12-7-11(8-13(17)9-12)15(18)14(19)6-10-4-2-1-3-5-10/h1-5,7-9,14-15,19H,6,18H2/t14-,15+/m0/s1
InChIKeySKFVDPZSPVQEFZ-LSDHHAIUSA-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-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171265752
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171271426
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264272
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol (CID 171261805) is (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol is N[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol?
The InChIKey is SKFVDPZSPVQEFZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-12-7-11(8-13(17)9-12)15(18)14(19)6-10-4-2-1-3-5-10/h1-5,7-9,14-15,19H,6,18H2/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol?
(1R,2S)-1-amino-1-(3,5-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 (1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171261805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).