1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol

C12H17F2NO — CID 79046201

IUPAC1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-12(2,15(3)4)11(16)8-5-9(13)7-10(14)6-8/h5-7,11,16H,1-4H3
InChIKeyDTGCOYDGJJASPB-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.34
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol

1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 79046201) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
PubChem CID79046201
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-12(2,15(3)4)11(16)8-5-9(13)7-10(14)6-8/h5-7,11,16H,1-4H3
InChIKeyDTGCOYDGJJASPB-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-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 79046198
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046035
1-(3-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79704721
(3,5-difluorophenyl)methanediol
CID 142893041
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79704876
1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine
CID 140922819
2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol
CID 81220593
1-amino-2-(3,5-difluorophenyl)-4,4-dimethylhexan-3-ol
CID 65189332
1-(3-fluoro-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
CID 79703267
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-2,2-dimethylpropanoic acid
CID 115351240
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol
CID 124636890
2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
CID 106531816

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol (CID 79046201) is 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol is CN(C)C(C)(C)C(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is DTGCOYDGJJASPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,15(3)4)11(16)8-5-9(13)7-10(14)6-8/h5-7,11,16H,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
1-(3,5-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-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 79046201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).