1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol

C15H15F2NO — CID 60902372

IUPAC1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
SMILESCc1cccc(NCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-10-3-2-4-12(7-10)18-9-15(19)11-5-6-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyXNQOWDHKWGOMSB-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.42
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol

1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol (PubChem CID 60902372) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
PubChem CID60902372
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
SMILESCc1cccc(NCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-10-3-2-4-12(7-10)18-9-15(19)11-5-6-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyXNQOWDHKWGOMSB-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-(3-methylanilino)-1-naphthalen-2-ylethanol
CID 60903235
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol (CID 60902372) is 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol is Cc1cccc(NCC(O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol?
The InChIKey is XNQOWDHKWGOMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-3-2-4-12(7-10)18-9-15(19)11-5-6-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol?
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol has a molecular weight of 263.29 g/mol, XLogP of 3.42, 4 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-(3-methylanilino)ethanol is sourced from PubChem (CID 60902372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).