1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol

C15H14Cl2FNO — CID 60900214

IUPAC1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cccc(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c16-11-4-5-14(17)13(7-11)15(20)9-19-8-10-2-1-3-12(18)6-10/h1-7,15,19-20H,8-9H2
InChIKeyITFUDYNHDQXEBY-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.96
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol

1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol (PubChem CID 60900214) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
PubChem CID60900214
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
SMILESOC(CNCc1cccc(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c16-11-4-5-14(17)13(7-11)15(20)9-19-8-10-2-1-3-12(18)6-10/h1-7,15,19-20H,8-9H2
InChIKeyITFUDYNHDQXEBY-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063
1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
CID 60908570
1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol (CID 60900214) is 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol is OC(CNCc1cccc(F)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol?
The InChIKey is ITFUDYNHDQXEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c16-11-4-5-14(17)13(7-11)15(20)9-19-8-10-2-1-3-12(18)6-10/h1-7,15,19-20H,8-9H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol?
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol has a molecular weight of 314.19 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol is sourced from PubChem (CID 60900214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).