1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine

C14H11Br2ClFN — CID 115843513

IUPAC1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1cccc(Br)c1Cl
InChIInChI=1S/C14H11Br2ClFN/c15-11-5-4-9(18)6-8(11)7-13(19)10-2-1-3-12(16)14(10)17/h1-6,13H,7,19H2
InChIKeyUGEHELSNZDKPKI-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.25
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine

1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine (PubChem CID 115843513) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
PubChem CID115843513
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1cccc(Br)c1Cl
InChIInChI=1S/C14H11Br2ClFN/c15-11-5-4-9(18)6-8(11)7-13(19)10-2-1-3-12(16)14(10)17/h1-6,13H,7,19H2
InChIKeyUGEHELSNZDKPKI-UHFFFAOYSA-N
XLogP5.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-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-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
[1-(3-bromo-2-chlorophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 102623531
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine (CID 115843513) is 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine is NC(Cc1cc(F)ccc1Br)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
The InChIKey is UGEHELSNZDKPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c15-11-5-4-9(18)6-8(11)7-13(19)10-2-1-3-12(16)14(10)17/h1-6,13H,7,19H2.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine has a molecular weight of 407.51 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine is sourced from PubChem (CID 115843513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).