1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol

C16H17F2NO — CID 62374509

IUPAC1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-16(20,13-5-3-2-4-6-13)11-19-10-12-7-8-14(17)9-15(12)18/h2-9,19-20H,10-11H2,1H3
InChIKeyHOVZBGGEPMLQTG-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.96
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol

1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol (PubChem CID 62374509) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol
PubChem CID62374509
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-16(20,13-5-3-2-4-6-13)11-19-10-12-7-8-14(17)9-15(12)18/h2-9,19-20H,10-11H2,1H3
InChIKeyHOVZBGGEPMLQTG-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
CID 57153727
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
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
CID 103248413
1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62603873
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411
1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457702
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol (CID 62374509) is 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol is CC(O)(CNCc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol?
The InChIKey is HOVZBGGEPMLQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-16(20,13-5-3-2-4-6-13)11-19-10-12-7-8-14(17)9-15(12)18/h2-9,19-20H,10-11H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol?
1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol has a molecular weight of 277.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 62374509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).