(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol

C16H17F2NO — CID 111449890

IUPAC(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c17-14-8-4-7-13(16(14)18)11-19-15(9-10-20)12-5-2-1-3-6-12/h1-8,15,19-20H,9-11H2/t15-/m1/s1
InChIKeyXRGOVXXCGVHZHV-OAHLLOKOSA-N
MW277.31 g/mol
LogP3.18
Rot. Bonds6

About (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol

(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 111449890) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID111449890
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c17-14-8-4-7-13(16(14)18)11-19-15(9-10-20)12-5-2-1-3-6-12/h1-8,15,19-20H,9-11H2/t15-/m1/s1
InChIKeyXRGOVXXCGVHZHV-OAHLLOKOSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449962
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449945
2,4-dichloro-6-[[[(1R)-3-hydroxy-1-phenylpropyl]amino]methyl]phenol
CID 111449956
2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
CID 65026626
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol (CID 111449890) is (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol is OCC[C@@H](NCc1cccc(F)c1F)c1ccccc1.
What is the InChIKey of (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is XRGOVXXCGVHZHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-14-8-4-7-13(16(14)18)11-19-15(9-10-20)12-5-2-1-3-6-12/h1-8,15,19-20H,9-11H2/t15-/m1/s1.
What are the key properties of (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 277.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111449890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).