2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine

C14H11BrCl2FN — CID 115839801

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-9-4-5-12(18)8(6-9)7-13(19)10-2-1-3-11(16)14(10)17/h1-6,13H,7,19H2
InChIKeyXVXRGNPNQMTJMK-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine (PubChem CID 115839801) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
PubChem CID115839801
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-9-4-5-12(18)8(6-9)7-13(19)10-2-1-3-11(16)14(10)17/h1-6,13H,7,19H2
InChIKeyXVXRGNPNQMTJMK-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)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-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
[2-(5-bromo-2-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105294924
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine (CID 115839801) is 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine is NC(Cc1cc(Br)ccc1F)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine?
The InChIKey is XVXRGNPNQMTJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-9-4-5-12(18)8(6-9)7-13(19)10-2-1-3-11(16)14(10)17/h1-6,13H,7,19H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 115839801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).