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

C15H15F2NO — CID 60900534

IUPAC1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-10-2-5-12(6-3-10)18-9-15(19)11-4-7-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyKVLLPYJJRQRSOU-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.42
Rot. Bonds4

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

1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol (PubChem CID 60900534) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
PubChem CID60900534
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-10-2-5-12(6-3-10)18-9-15(19)11-4-7-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyKVLLPYJJRQRSOU-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

2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
CID 60897262
4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60759325
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
CID 133108525
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol (CID 60900534) is 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol is Cc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol?
The InChIKey is KVLLPYJJRQRSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-2-5-12(6-3-10)18-9-15(19)11-4-7-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol?
1-(3,4-difluorophenyl)-2-(4-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-(4-methylanilino)ethanol is sourced from PubChem (CID 60900534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).