3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol

C15H15Cl2NO — CID 65186071

IUPAC3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c16-12-6-4-10(5-7-12)14(9-18)15(19)11-2-1-3-13(17)8-11/h1-8,14-15,19H,9,18H2
InChIKeyOUERFCZKEOUDSX-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.77
Rot. Bonds4

About 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol

3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol (PubChem CID 65186071) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
PubChem CID65186071
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c16-12-6-4-10(5-7-12)14(9-18)15(19)11-2-1-3-13(17)8-11/h1-8,14-15,19H,9,18H2
InChIKeyOUERFCZKEOUDSX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 65185993
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281
3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971
3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
CID 81325141
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol (CID 65186071) is 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol is NCC(c1ccc(Cl)cc1)C(O)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is OUERFCZKEOUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-12-6-4-10(5-7-12)14(9-18)15(19)11-2-1-3-13(17)8-11/h1-8,14-15,19H,9,18H2.
What are the key properties of 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol has a molecular weight of 296.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 65186071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).