1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol

C11H15F2NO — CID 83810140

IUPAC1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-14(2)6-5-11(15)9-4-3-8(12)7-10(9)13/h3-4,7,11,15H,5-6H2,1-2H3
InChIKeyOQOLLTTVVMKZLC-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.95
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol

1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 83810140) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
PubChem CID83810140
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-14(2)6-5-11(15)9-4-3-8(12)7-10(9)13/h3-4,7,11,15H,5-6H2,1-2H3
InChIKeyOQOLLTTVVMKZLC-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
CID 115608674
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 80502462
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
(2,4-difluorophenyl)methanediol
CID 91089962
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897757

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol (CID 83810140) is 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol is CN(C)CCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is OQOLLTTVVMKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-14(2)6-5-11(15)9-4-3-8(12)7-10(9)13/h3-4,7,11,15H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol?
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 83810140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).