[2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol

C14H13BrFNO — CID 54258127

IUPAC[2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol
SMILESCc1cc(Br)ccc1Nc1cc(F)ccc1CO
InChIInChI=1S/C14H13BrFNO/c1-9-6-11(15)3-5-13(9)17-14-7-12(16)4-2-10(14)8-18/h2-7,17-18H,8H2,1H3
InChIKeyRBMXFEMYOCRASY-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.13
Rot. Bonds3

About [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol

[2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol (PubChem CID 54258127) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol
PubChem CID54258127
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol
SMILESCc1cc(Br)ccc1Nc1cc(F)ccc1CO
InChIInChI=1S/C14H13BrFNO/c1-9-6-11(15)3-5-13(9)17-14-7-12(16)4-2-10(14)8-18/h2-7,17-18H,8H2,1H3
InChIKeyRBMXFEMYOCRASY-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol?
The IUPAC name of [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol (CID 54258127) is [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol is Cc1cc(Br)ccc1Nc1cc(F)ccc1CO.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol?
The InChIKey is RBMXFEMYOCRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-6-11(15)3-5-13(9)17-14-7-12(16)4-2-10(14)8-18/h2-7,17-18H,8H2,1H3.
What are the key properties of [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol?
[2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol has a molecular weight of 310.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-4-fluorophenyl]methanol is sourced from PubChem (CID 54258127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).