6-[amino(methyl)amino]-3-bromo-2-chloroaniline

C7H9BrClN3 — CID 144867341

IUPAC6-[amino(methyl)amino]-3-bromo-2-chloroaniline
SMILESCN(N)c1ccc(Br)c(Cl)c1N
InChIInChI=1S/C7H9BrClN3/c1-12(11)5-3-2-4(8)6(9)7(5)10/h2-3H,10-11H2,1H3
InChIKeyJTKZKRPXJVHWEO-UHFFFAOYSA-N
MW250.53 g/mol
LogP1.99
Rot. Bonds1

About 6-[amino(methyl)amino]-3-bromo-2-chloroaniline

6-[amino(methyl)amino]-3-bromo-2-chloroaniline (PubChem CID 144867341) has the molecular formula C7H9BrClN3 and a molecular weight of 250.53 g/mol. Its IUPAC name is 6-[amino(methyl)amino]-3-bromo-2-chloroaniline.

Molecular Properties

Compound Name6-[amino(methyl)amino]-3-bromo-2-chloroaniline
PubChem CID144867341
Molecular FormulaC7H9BrClN3
Molecular Weight250.53 g/mol
Exact Mass248.97
IUPAC Name6-[amino(methyl)amino]-3-bromo-2-chloroaniline
SMILESCN(N)c1ccc(Br)c(Cl)c1N
InChIInChI=1S/C7H9BrClN3/c1-12(11)5-3-2-4(8)6(9)7(5)10/h2-3H,10-11H2,1H3
InChIKeyJTKZKRPXJVHWEO-UHFFFAOYSA-N
XLogP1.99
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.53
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(methyl)amino]-3-bromo-2-chloroaniline?
The IUPAC name of 6-[amino(methyl)amino]-3-bromo-2-chloroaniline (CID 144867341) is 6-[amino(methyl)amino]-3-bromo-2-chloroaniline.
What is the SMILES notation for 6-[amino(methyl)amino]-3-bromo-2-chloroaniline?
The canonical SMILES for 6-[amino(methyl)amino]-3-bromo-2-chloroaniline is CN(N)c1ccc(Br)c(Cl)c1N.
What is the InChIKey of 6-[amino(methyl)amino]-3-bromo-2-chloroaniline?
The InChIKey is JTKZKRPXJVHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3/c1-12(11)5-3-2-4(8)6(9)7(5)10/h2-3H,10-11H2,1H3.
What are the key properties of 6-[amino(methyl)amino]-3-bromo-2-chloroaniline?
6-[amino(methyl)amino]-3-bromo-2-chloroaniline has a molecular weight of 250.53 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(methyl)amino]-3-bromo-2-chloroaniline is sourced from PubChem (CID 144867341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).