N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine

C15H15BrFN — CID 103775782

IUPACN-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFN/c1-11(14-8-7-13(17)9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3
InChIKeyQAVUPJQPDZJVJA-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.44
Rot. Bonds4

About N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine

N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine (PubChem CID 103775782) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
PubChem CID103775782
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFN/c1-11(14-8-7-13(17)9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3
InChIKeyQAVUPJQPDZJVJA-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine 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

1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
2,6-dibromo-4-[[1-(2,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602836
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
(1R)-N-benzyl-1-(4-fluoronaphthalen-1-yl)ethanamine
CID 141381257
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 113261530
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
CID 103779130
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine?
The IUPAC name of N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine (CID 103775782) is N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine.
What is the SMILES notation for N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine?
The canonical SMILES for N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine is CC(NCc1ccccc1)c1ccc(F)cc1Br.
What is the InChIKey of N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine?
The InChIKey is QAVUPJQPDZJVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11(14-8-7-13(17)9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3.
What are the key properties of N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine?
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine is sourced from PubChem (CID 103775782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).