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

C14H12BrClN2O2 — CID 107955229

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine
SMILESNC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H12BrClN2O2/c15-11-5-10(6-12(16)8-11)13(17)7-9-3-1-2-4-14(9)18(19)20/h1-6,8,13H,7,17H2
InChIKeySGFJZJMORBUVHG-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.25
Rot. Bonds4

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

1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine (PubChem CID 107955229) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine
PubChem CID107955229
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine
SMILESNC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H12BrClN2O2/c15-11-5-10(6-12(16)8-11)13(17)7-9-3-1-2-4-14(9)18(19)20/h1-6,8,13H,7,17H2
InChIKeySGFJZJMORBUVHG-UHFFFAOYSA-N
XLogP4.25
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)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-chloro-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 81323338
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
CID 63017856
1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 61079957
1-[2-bromo-2-(3-chlorophenyl)ethyl]-2-nitrobenzene
CID 63542749
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220
1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 114382734
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107946711
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene
CID 63519874
1,4-dichloro-2-[1-chloro-2-(2-nitrophenyl)ethyl]benzene
CID 63519709

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine (CID 107955229) is 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine is NC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine?
The InChIKey is SGFJZJMORBUVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c15-11-5-10(6-12(16)8-11)13(17)7-9-3-1-2-4-14(9)18(19)20/h1-6,8,13H,7,17H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine?
1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine has a molecular weight of 355.62 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 107955229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).