1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol

C15H15Cl2NO — CID 60724900

IUPAC1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
SMILESOC(CNCc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c16-13-6-4-12(5-7-13)15(19)10-18-9-11-2-1-3-14(17)8-11/h1-8,15,18-19H,9-10H2
InChIKeyKPHKTRNGPLVRFH-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.82
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol (PubChem CID 60724900) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
PubChem CID60724900
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
SMILESOC(CNCc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c16-13-6-4-12(5-7-13)15(19)10-18-9-11-2-1-3-14(17)8-11/h1-8,15,18-19H,9-10H2
InChIKeyKPHKTRNGPLVRFH-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
4-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355702
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol (CID 60724900) is 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol is OC(CNCc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol?
The InChIKey is KPHKTRNGPLVRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-13-6-4-12(5-7-13)15(19)10-18-9-11-2-1-3-14(17)8-11/h1-8,15,18-19H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol has a molecular weight of 296.20 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol is sourced from PubChem (CID 60724900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).