1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine

C15H13Br2ClFN — CID 82774821

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClFN/c1-9(13-4-2-11(16)7-15(13)18)20-8-10-6-12(19)3-5-14(10)17/h2-7,9,20H,8H2,1H3
InChIKeyIFPBTEIVPNLCIN-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.85
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine

1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine (PubChem CID 82774821) has the molecular formula C15H13Br2ClFN and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
PubChem CID82774821
Molecular FormulaC15H13Br2ClFN
Molecular Weight421.54 g/mol
Exact Mass418.91
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClFN/c1-9(13-4-2-11(16)7-15(13)18)20-8-10-6-12(19)3-5-14(10)17/h2-7,9,20H,8H2,1H3
InChIKeyIFPBTEIVPNLCIN-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]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

N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43095873
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
2-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82774819
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115598223
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 61016209

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine (CID 82774821) is 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine is CC(NCc1cc(F)ccc1Br)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine?
The InChIKey is IFPBTEIVPNLCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClFN/c1-9(13-4-2-11(16)7-15(13)18)20-8-10-6-12(19)3-5-14(10)17/h2-7,9,20H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine has a molecular weight of 421.54 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 82774821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).