2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine

C14H11Br2ClFN — CID 107947077

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2ClFN/c15-9-1-3-11(12(16)7-9)14(19)6-8-5-10(17)2-4-13(8)18/h1-5,7,14H,6,19H2
InChIKeyGWQCOJCJAHWCQU-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.25
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine

2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine (PubChem CID 107947077) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
PubChem CID107947077
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2ClFN/c15-9-1-3-11(12(16)7-9)14(19)6-8-5-10(17)2-4-13(8)18/h1-5,7,14H,6,19H2
InChIKeyGWQCOJCJAHWCQU-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-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)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

2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
CID 115839801
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine (CID 107947077) is 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine is NC(Cc1cc(Cl)ccc1F)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is GWQCOJCJAHWCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c15-9-1-3-11(12(16)7-9)14(19)6-8-5-10(17)2-4-13(8)18/h1-5,7,14H,6,19H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)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-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 107947077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).