4-N-(3-bromophenyl)benzene-1,2,4-triamine

C12H12BrN3 — CID 106750334

IUPAC4-N-(3-bromophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2cccc(Br)c2)cc1N
InChIInChI=1S/C12H12BrN3/c13-8-2-1-3-9(6-8)16-10-4-5-11(14)12(15)7-10/h1-7,16H,14-15H2
InChIKeyJEQBBMFPBDQELE-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.36
Rot. Bonds2

About 4-N-(3-bromophenyl)benzene-1,2,4-triamine

4-N-(3-bromophenyl)benzene-1,2,4-triamine (PubChem CID 106750334) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)benzene-1,2,4-triamine
PubChem CID106750334
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name4-N-(3-bromophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2cccc(Br)c2)cc1N
InChIInChI=1S/C12H12BrN3/c13-8-2-1-3-9(6-8)16-10-4-5-11(14)12(15)7-10/h1-7,16H,14-15H2
InChIKeyJEQBBMFPBDQELE-UHFFFAOYSA-N
XLogP3.36
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
3-bromo-N-phenylaniline
CID 14958606
5-N-(3-bromophenyl)pyridine-3,5-diamine
CID 104532361
4-(3-bromoanilino)benzoic acid
CID 55049149
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine
CID 66094560
2-N-(3-bromophenyl)-3-chloropyridine-2,5-diamine
CID 82490180
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
N'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261575

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(3-bromophenyl)benzene-1,2,4-triamine (CID 106750334) is 4-N-(3-bromophenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(3-bromophenyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(3-bromophenyl)benzene-1,2,4-triamine is Nc1ccc(Nc2cccc(Br)c2)cc1N.
What is the InChIKey of 4-N-(3-bromophenyl)benzene-1,2,4-triamine?
The InChIKey is JEQBBMFPBDQELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-8-2-1-3-9(6-8)16-10-4-5-11(14)12(15)7-10/h1-7,16H,14-15H2.
What are the key properties of 4-N-(3-bromophenyl)benzene-1,2,4-triamine?
4-N-(3-bromophenyl)benzene-1,2,4-triamine has a molecular weight of 278.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).