2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol

C15H15BrFNO — CID 55131466

IUPAC2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-15(10-19,18-12-5-3-2-4-6-12)11-7-8-14(17)13(16)9-11/h2-9,18-19H,10H2,1H3
InChIKeyCLHDMUPVBSWWCH-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.91
Rot. Bonds4

About 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol

2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol (PubChem CID 55131466) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol
PubChem CID55131466
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-15(10-19,18-12-5-3-2-4-6-12)11-7-8-14(17)13(16)9-11/h2-9,18-19H,10H2,1H3
InChIKeyCLHDMUPVBSWWCH-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol (CID 55131466) is 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol is CC(CO)(Nc1ccccc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol?
The InChIKey is CLHDMUPVBSWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-15(10-19,18-12-5-3-2-4-6-12)11-7-8-14(17)13(16)9-11/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol?
2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol has a molecular weight of 324.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3-bromo-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 55131466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).