1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol

C16H17F2NO — CID 82074437

IUPAC1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
SMILESCN(CCC(O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-19(13-5-3-2-4-6-13)10-9-16(20)12-7-8-14(17)15(18)11-12/h2-8,11,16,20H,9-10H2,1H3
InChIKeyIUKOFCDWCJHJIT-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol

1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol (PubChem CID 82074437) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
PubChem CID82074437
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
SMILESCN(CCC(O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-19(13-5-3-2-4-6-13)10-9-16(20)12-7-8-14(17)15(18)11-12/h2-8,11,16,20H,9-10H2,1H3
InChIKeyIUKOFCDWCJHJIT-UHFFFAOYSA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570751
1-(3-bromophenyl)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 62617468
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol (CID 82074437) is 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol is CN(CCC(O)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol?
The InChIKey is IUKOFCDWCJHJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-19(13-5-3-2-4-6-13)10-9-16(20)12-7-8-14(17)15(18)11-12/h2-8,11,16,20H,9-10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol?
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol has a molecular weight of 277.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol is sourced from PubChem (CID 82074437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).