(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol

C16H17F2NO — CID 111449962

IUPAC(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H17F2NO/c17-14-7-6-12(10-15(14)18)11-19-16(8-9-20)13-4-2-1-3-5-13/h1-7,10,16,19-20H,8-9,11H2/t16-/m1/s1
InChIKeyWZUISIFZQBDHII-MRXNPFEDSA-N
MW277.31 g/mol
LogP3.18
Rot. Bonds6

About (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol

(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 111449962) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID111449962
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H17F2NO/c17-14-7-6-12(10-15(14)18)11-19-16(8-9-20)13-4-2-1-3-5-13/h1-7,10,16,19-20H,8-9,11H2/t16-/m1/s1
InChIKeyWZUISIFZQBDHII-MRXNPFEDSA-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

(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449945
(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449890
N-[(3-bromo-4-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222005
(1S)-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265451
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
2,4-dichloro-6-[[[(1R)-3-hydroxy-1-phenylpropyl]amino]methyl]phenol
CID 111449956
N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 81431276
(3R)-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-3-phenylpropan-1-ol
CID 111467278
(3R)-3-[(5-nitrothiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 111449899
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfonyl-1-phenylethanamine
CID 86793639

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol (CID 111449962) is (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol is OCC[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is WZUISIFZQBDHII-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-14-7-6-12(10-15(14)18)11-19-16(8-9-20)13-4-2-1-3-5-13/h1-7,10,16,19-20H,8-9,11H2/t16-/m1/s1.
What are the key properties of (3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(3,4-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-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111449962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).