2-amino-N'-(3-bromophenyl)benzenecarboximidamide

C13H12BrN3 — CID 15836407

IUPAC2-amino-N'-(3-bromophenyl)benzenecarboximidamide
SMILESN/C(=N\c1cccc(Br)c1)c1ccccc1N
InChIInChI=1S/C13H12BrN3/c14-9-4-3-5-10(8-9)17-13(16)11-6-1-2-7-12(11)15/h1-8H,15H2,(H2,16,17)
InChIKeyAGEAYFWVCFHNSU-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.07
Rot. Bonds2

About 2-amino-N'-(3-bromophenyl)benzenecarboximidamide

2-amino-N'-(3-bromophenyl)benzenecarboximidamide (PubChem CID 15836407) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-amino-N'-(3-bromophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-N'-(3-bromophenyl)benzenecarboximidamide
PubChem CID15836407
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name2-amino-N'-(3-bromophenyl)benzenecarboximidamide
SMILESN/C(=N\c1cccc(Br)c1)c1ccccc1N
InChIInChI=1S/C13H12BrN3/c14-9-4-3-5-10(8-9)17-13(16)11-6-1-2-7-12(11)15/h1-8H,15H2,(H2,16,17)
InChIKeyAGEAYFWVCFHNSU-UHFFFAOYSA-N
XLogP3.07
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-Phenylbenzamidine
CID 200127
N-(4-Bromo-phenyl)-benzamidine
CID 2838838
N-Benzylidene-3-bromoaniline
CID 525548
2-amino-N'-phenylbenzenecarboximidamide
CID 397632
(Z)-4-bromo-N-(3-iminoisoindolin-1-ylidene)aniline
CID 682811
N'-(2-methylphenyl)benzenecarboximidamide
CID 6340801
1-(5-Bromo-2-methylphenyl)guanidine
CID 45496606
4-bromo-N-(2,2,2-trifluoro-1-(p-tolylimino)ethyl)benzimidamide
CID 139033804
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
2-Amino-N'-(3-methylphenyl)benzene-1-carboximidamide
CID 15836406
N'-(3-bromophenyl)benzenecarboximidamide
CID 63178337
N'-(2-bromophenyl)benzenecarboximidamide
CID 63178973

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(3-bromophenyl)benzenecarboximidamide?
The IUPAC name of 2-amino-N'-(3-bromophenyl)benzenecarboximidamide (CID 15836407) is 2-amino-N'-(3-bromophenyl)benzenecarboximidamide.
What is the SMILES notation for 2-amino-N'-(3-bromophenyl)benzenecarboximidamide?
The canonical SMILES for 2-amino-N'-(3-bromophenyl)benzenecarboximidamide is N/C(=N\c1cccc(Br)c1)c1ccccc1N.
What is the InChIKey of 2-amino-N'-(3-bromophenyl)benzenecarboximidamide?
The InChIKey is AGEAYFWVCFHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c14-9-4-3-5-10(8-9)17-13(16)11-6-1-2-7-12(11)15/h1-8H,15H2,(H2,16,17).
What are the key properties of 2-amino-N'-(3-bromophenyl)benzenecarboximidamide?
2-amino-N'-(3-bromophenyl)benzenecarboximidamide has a molecular weight of 290.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(3-bromophenyl)benzenecarboximidamide is sourced from PubChem (CID 15836407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).