(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol

C14H13Cl2NO — CID 118631975

IUPAC(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
SMILESNC(c1ccc(Cl)cc1)[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-11-6-4-9(5-7-11)13(17)14(18)10-2-1-3-12(16)8-10/h1-8,13-14,18H,17H2/t13?,14-/m0/s1
InChIKeyAPVADYATHQBXQK-KZUDCZAMSA-N
MW282.17 g/mol
LogP3.73
Rot. Bonds3

About (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol

(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol (PubChem CID 118631975) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
PubChem CID118631975
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
SMILESNC(c1ccc(Cl)cc1)[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-11-6-4-9(5-7-11)13(17)14(18)10-2-1-3-12(16)8-10/h1-8,13-14,18H,17H2/t13?,14-/m0/s1
InChIKeyAPVADYATHQBXQK-KZUDCZAMSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 89490748
2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 123406451
2-amino-2-(4-chlorophenyl)-1-(3-methylphenyl)ethanol
CID 123458575
2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 123373360
(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 89490664
2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 123991915
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol
CID 123836441

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol (CID 118631975) is (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol is NC(c1ccc(Cl)cc1)[C@@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is APVADYATHQBXQK-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-11-6-4-9(5-7-11)13(17)14(18)10-2-1-3-12(16)8-10/h1-8,13-14,18H,17H2/t13?,14-/m0/s1.
What are the key properties of (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol?
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol has a molecular weight of 282.17 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 118631975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).