2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine

C14H11Br2ClFN — CID 105037980

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C14H11Br2ClFN/c15-9-2-1-8(13(17)6-9)5-14(19)11-4-3-10(18)7-12(11)16/h1-4,6-7,14H,5,19H2
InChIKeyIPMTUGYJEXVWJT-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.25
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine (PubChem CID 105037980) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
PubChem CID105037980
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C14H11Br2ClFN/c15-9-2-1-8(13(17)6-9)5-14(19)11-4-3-10(18)7-12(11)16/h1-4,6-7,14H,5,19H2
InChIKeyIPMTUGYJEXVWJT-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 2-(4-bromo-2-chlorophenyl)-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-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
[2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105335194
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine (CID 105037980) is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine is NC(Cc1ccc(Br)cc1Cl)c1ccc(F)cc1Br.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine?
The InChIKey is IPMTUGYJEXVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c15-9-2-1-8(13(17)6-9)5-14(19)11-4-3-10(18)7-12(11)16/h1-4,6-7,14H,5,19H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-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 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine is sourced from PubChem (CID 105037980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).