2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol

C16H16F3NO2 — CID 134033680

IUPAC2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(OC(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F3NO2/c17-13-5-3-12(4-6-13)15(21)10-20-9-11-1-7-14(8-2-11)22-16(18)19/h1-8,15-16,20-21H,9-10H2
InChIKeySZJDBEINCOEENI-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.25
Rot. Bonds7

About 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol

2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 134033680) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID134033680
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(OC(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F3NO2/c17-13-5-3-12(4-6-13)15(21)10-20-9-11-1-7-14(8-2-11)22-16(18)19/h1-8,15-16,20-21H,9-10H2
InChIKeySZJDBEINCOEENI-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611
1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 110902096
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
CID 43312744
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
N-[[4-(difluoromethoxy)phenyl]methyl]-2,2-diethoxyethanamine
CID 78910455
1-[4-(difluoromethoxy)phenyl]-3-[(4-fluorophenyl)methyl]thiourea
CID 2449597

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol (CID 134033680) is 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol is OC(CNCc1ccc(OC(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is SZJDBEINCOEENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c17-13-5-3-12(4-6-13)15(21)10-20-9-11-1-7-14(8-2-11)22-16(18)19/h1-8,15-16,20-21H,9-10H2.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol?
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 311.30 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 134033680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).