(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol

C16H17F2NO — CID 104709077

IUPAC(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H17F2NO/c17-16(18)14-8-6-12(7-9-14)10-19-15(11-20)13-4-2-1-3-5-13/h1-9,15-16,19-20H,10-11H2/t15-/m0/s1
InChIKeyCALFYJZLSXIRME-HNNXBMFYSA-N
MW277.31 g/mol
LogP3.45
Rot. Bonds6

About (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol

(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol (PubChem CID 104709077) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
PubChem CID104709077
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H17F2NO/c17-16(18)14-8-6-12(7-9-14)10-19-15(11-20)13-4-2-1-3-5-13/h1-9,15-16,19-20H,10-11H2/t15-/m0/s1
InChIKeyCALFYJZLSXIRME-HNNXBMFYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol 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

(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
CID 107862523
2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile
CID 63182209
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 113328529
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol (CID 104709077) is (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol is OC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol?
The InChIKey is CALFYJZLSXIRME-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-16(18)14-8-6-12(7-9-14)10-19-15(11-20)13-4-2-1-3-5-13/h1-9,15-16,19-20H,10-11H2/t15-/m0/s1.
What are the key properties of (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol?
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol has a molecular weight of 277.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol is sourced from PubChem (CID 104709077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).