2-chloro-1-N-methylbenzene-1,4-diamine

C7H9ClN2 — CID 19048352

IUPAC2-chloro-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(N)cc1Cl
InChIInChI=1S/C7H9ClN2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKeyXCGOCWBIFFICFZ-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.96
Rot. Bonds1

About 2-chloro-1-N-methylbenzene-1,4-diamine

2-chloro-1-N-methylbenzene-1,4-diamine (PubChem CID 19048352) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-chloro-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-methylbenzene-1,4-diamine
PubChem CID19048352
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-chloro-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(N)cc1Cl
InChIInChI=1S/C7H9ClN2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKeyXCGOCWBIFFICFZ-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.96
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-chloro-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-methylbenzene-1,4-diamine (CID 19048352) is 2-chloro-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-methylbenzene-1,4-diamine is CNc1ccc(N)cc1Cl.
What is the InChIKey of 2-chloro-1-N-methylbenzene-1,4-diamine?
The InChIKey is XCGOCWBIFFICFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3.
What are the key properties of 2-chloro-1-N-methylbenzene-1,4-diamine?
2-chloro-1-N-methylbenzene-1,4-diamine has a molecular weight of 156.62 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 19048352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).