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

C8H11ClN2 — CID 12589570

IUPAC4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccc(Cl)cc1NC
InChIInChI=1S/C8H11ClN2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,10-11H,1-2H3
InChIKeyBGCUFJNBWIABEB-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.42
Rot. Bonds2

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

4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 12589570) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID12589570
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccc(Cl)cc1NC
InChIInChI=1S/C8H11ClN2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,10-11H,1-2H3
InChIKeyBGCUFJNBWIABEB-UHFFFAOYSA-N
XLogP2.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine (CID 12589570) is 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine is CNc1ccc(Cl)cc1NC.
What is the InChIKey of 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is BGCUFJNBWIABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,10-11H,1-2H3.
What are the key properties of 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine?
4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 170.64 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 12589570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).