1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol

C12H17F2NO — CID 79046035

IUPAC1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,15(3)4)11(16)9-6-5-8(13)7-10(9)14/h5-7,11,16H,1-4H3
InChIKeyATFCTTWIOXKDCD-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.34
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol

1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 79046035) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
PubChem CID79046035
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,15(3)4)11(16)9-6-5-8(13)7-10(9)14/h5-7,11,16H,1-4H3
InChIKeyATFCTTWIOXKDCD-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61086809
(2,4-difluorophenyl)methanediol
CID 91089962
1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046201
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 58533232
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 79046198
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol (CID 79046035) is 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol is CN(C)C(C)(C)C(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is ATFCTTWIOXKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,15(3)4)11(16)9-6-5-8(13)7-10(9)14/h5-7,11,16H,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 79046035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).