4-bromo-2-N-ethylbenzene-1,2-diamine

C8H11BrN2 — CID 59293659

IUPAC4-bromo-2-N-ethylbenzene-1,2-diamine
SMILESCCNc1cc(Br)ccc1N
InChIInChI=1S/C8H11BrN2/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5,11H,2,10H2,1H3
InChIKeyDHIZLNPSALVZBY-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.46
Rot. Bonds2

About 4-bromo-2-N-ethylbenzene-1,2-diamine

4-bromo-2-N-ethylbenzene-1,2-diamine (PubChem CID 59293659) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-bromo-2-N-ethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-ethylbenzene-1,2-diamine
PubChem CID59293659
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name4-bromo-2-N-ethylbenzene-1,2-diamine
SMILESCCNc1cc(Br)ccc1N
InChIInChI=1S/C8H11BrN2/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5,11H,2,10H2,1H3
InChIKeyDHIZLNPSALVZBY-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-ethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-ethylbenzene-1,2-diamine (CID 59293659) is 4-bromo-2-N-ethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-ethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-ethylbenzene-1,2-diamine is CCNc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-ethylbenzene-1,2-diamine?
The InChIKey is DHIZLNPSALVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5,11H,2,10H2,1H3.
What are the key properties of 4-bromo-2-N-ethylbenzene-1,2-diamine?
4-bromo-2-N-ethylbenzene-1,2-diamine has a molecular weight of 215.09 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-ethylbenzene-1,2-diamine is sourced from PubChem (CID 59293659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).