(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol

C17H19F2NO — CID 107860721

IUPAC(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C17H19F2NO/c18-17(19)15-8-4-7-14(9-15)11-20-16(12-21)10-13-5-2-1-3-6-13/h1-9,16-17,20-21H,10-12H2/t16-/m1/s1
InChIKeyUNEACAFCSPSGBD-MRXNPFEDSA-N
MW291.34 g/mol
LogP3.32
Rot. Bonds7

About (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol

(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol (PubChem CID 107860721) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
PubChem CID107860721
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C17H19F2NO/c18-17(19)15-8-4-7-14(9-15)11-20-16(12-21)10-13-5-2-1-3-6-13/h1-9,16-17,20-21H,10-12H2/t16-/m1/s1
InChIKeyUNEACAFCSPSGBD-MRXNPFEDSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol 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

2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 115526569
3-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzonitrile
CID 104922914
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 81002992
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
CID 63261549
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol (CID 107860721) is (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)NCc1cccc(C(F)F)c1.
What is the InChIKey of (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol?
The InChIKey is UNEACAFCSPSGBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F2NO/c18-17(19)15-8-4-7-14(9-15)11-20-16(12-21)10-13-5-2-1-3-6-13/h1-9,16-17,20-21H,10-12H2/t16-/m1/s1.
What are the key properties of (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol?
(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol has a molecular weight of 291.34 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107860721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).