5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine

C7H8BrClN2 — CID 142494313

IUPAC5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine
SMILESCNc1cc(Br)cc(Cl)c1N
InChIInChI=1S/C7H8BrClN2/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3,11H,10H2,1H3
InChIKeyQMJVMEYHDCXRSZ-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.73
Rot. Bonds1

About 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine

5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine (PubChem CID 142494313) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine
PubChem CID142494313
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine
SMILESCNc1cc(Br)cc(Cl)c1N
InChIInChI=1S/C7H8BrClN2/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3,11H,10H2,1H3
InChIKeyQMJVMEYHDCXRSZ-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
2,4-dibromo-6-chloroaniline
CID 4295982
1-(2-amino-5-bromo-3-chlorophenyl)propan-1-one
CID 66920482
2-amino-5-bromo-3-chlorobenzoate
CID 6948109
3-bromo-1-N,5-dimethylbenzene-1,2-diamine
CID 169191403
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
6-bromo-8-chloro-2-ethyl-N-methylquinolin-4-amine
CID 63479737
2,6-dichloro-4-methylaniline;ethane
CID 143233725
6-bromo-4-N-methylpyridine-3,4-diamine
CID 86661976
4-bromo-2,6-dichloro-N-methylbenzamide
CID 170992492
3-bromo-5-chloro-2,4-dimethylaniline
CID 84797130
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
CID 62913398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine (CID 142494313) is 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine is CNc1cc(Br)cc(Cl)c1N.
What is the InChIKey of 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine?
The InChIKey is QMJVMEYHDCXRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3,11H,10H2,1H3.
What are the key properties of 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine?
5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine has a molecular weight of 235.51 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 142494313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).