1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol

C12H17F2NO — CID 82934575

IUPAC1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-12(16,5-6-15-2)8-9-3-4-10(13)11(14)7-9/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyIQESDUNESDSRAZ-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.87
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol

1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol (PubChem CID 82934575) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol
PubChem CID82934575
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-12(16,5-6-15-2)8-9-3-4-10(13)11(14)7-9/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyIQESDUNESDSRAZ-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 82935066
1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol
CID 114349788
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
2-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 82935794
3-[(3,4-difluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170453
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
CID 114276080
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
4-(3,4-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308797
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol (CID 82934575) is 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol is CNCCC(C)(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol?
The InChIKey is IQESDUNESDSRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(16,5-6-15-2)8-9-3-4-10(13)11(14)7-9/h3-4,7,15-16H,5-6,8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol?
1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol is sourced from PubChem (CID 82934575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).