2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol

C16H16F3NO — CID 111334411

IUPAC2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1cccc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F3NO/c1-16(21,14-6-5-13(18)8-15(14)19)10-20-9-11-3-2-4-12(17)7-11/h2-8,20-21H,9-10H2,1H3
InChIKeyCSBAAZNAMISRKT-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.10
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol

2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol (PubChem CID 111334411) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
PubChem CID111334411
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1cccc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F3NO/c1-16(21,14-6-5-13(18)8-15(14)19)10-20-9-11-3-2-4-12(17)7-11/h2-8,20-21H,9-10H2,1H3
InChIKeyCSBAAZNAMISRKT-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
2-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811942
2-[[[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811943
methyl 3-[(3-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 113436474
2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 111334415
2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 111466873
3-chloro-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 115363424
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid
CID 167895497
2-(2,4-difluorophenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 111334389
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol (CID 111334411) is 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol is CC(O)(CNCc1cccc(F)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is CSBAAZNAMISRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-16(21,14-6-5-13(18)8-15(14)19)10-20-9-11-3-2-4-12(17)7-11/h2-8,20-21H,9-10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol?
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 295.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 111334411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).