2-chlorobenzene-1,4-diamine

C6H7ClN2 — CID 11998

IUPAC2-chlorobenzene-1,4-diamine
SMILESNc1ccc(N)c(Cl)c1
InChIInChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChIKeyMGLZGLAFFOMWPB-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.50
Rot. Bonds

About 2-chlorobenzene-1,4-diamine

2-chlorobenzene-1,4-diamine (PubChem CID 11998) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-chlorobenzene-1,4-diamine.

Molecular Properties

Compound Name2-chlorobenzene-1,4-diamine
PubChem CID11998
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name2-chlorobenzene-1,4-diamine
SMILESNc1ccc(N)c(Cl)c1
InChIInChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChIKeyMGLZGLAFFOMWPB-UHFFFAOYSA-N
XLogP1.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.50
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 2-chlorobenzene-1,4-diamine?
The IUPAC name of 2-chlorobenzene-1,4-diamine (CID 11998) is 2-chlorobenzene-1,4-diamine.
What is the SMILES notation for 2-chlorobenzene-1,4-diamine?
The canonical SMILES for 2-chlorobenzene-1,4-diamine is Nc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chlorobenzene-1,4-diamine?
The InChIKey is MGLZGLAFFOMWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2.
What are the key properties of 2-chlorobenzene-1,4-diamine?
2-chlorobenzene-1,4-diamine has a molecular weight of 142.59 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzene-1,4-diamine is sourced from PubChem (CID 11998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).