2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol

C15H15BrFNO — CID 63333952

IUPAC2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccccc2F)cc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-6-7-11(8-13(10)16)18-9-15(19)12-4-2-3-5-14(12)17/h2-8,15,18-19H,9H2,1H3
InChIKeyVUVLDGZBJZHCHZ-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol

2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol (PubChem CID 63333952) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
PubChem CID63333952
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccccc2F)cc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-6-7-11(8-13(10)16)18-9-15(19)12-4-2-3-5-14(12)17/h2-8,15,18-19H,9H2,1H3
InChIKeyVUVLDGZBJZHCHZ-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
CID 60902359
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
4-[2-(3-bromo-4-methylanilino)-1-hydroxyethyl]benzonitrile
CID 63334074

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol (CID 63333952) is 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol is Cc1ccc(NCC(O)c2ccccc2F)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The InChIKey is VUVLDGZBJZHCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-6-7-11(8-13(10)16)18-9-15(19)12-4-2-3-5-14(12)17/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol?
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol has a molecular weight of 324.19 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 63333952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).