1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride

C10H17ClN2 — CID 158225673

IUPAC1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
SMILESCCNc1ccccc1NCC.Cl
InChIInChI=1S/C10H16N2.ClH/c1-3-11-9-7-5-6-8-10(9)12-4-2;/h5-8,11-12H,3-4H2,1-2H3;1H
InChIKeyGDTQTRWCVSEOEV-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.97
Rot. Bonds4

About 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride

1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride (PubChem CID 158225673) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
PubChem CID158225673
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
SMILESCCNc1ccccc1NCC.Cl
InChIInChI=1S/C10H16N2.ClH/c1-3-11-9-7-5-6-8-10(9)12-4-2;/h5-8,11-12H,3-4H2,1-2H3;1H
InChIKeyGDTQTRWCVSEOEV-UHFFFAOYSA-N
XLogP2.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride?
The IUPAC name of 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride (CID 158225673) is 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride is CCNc1ccccc1NCC.Cl.
What is the InChIKey of 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride?
The InChIKey is GDTQTRWCVSEOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c1-3-11-9-7-5-6-8-10(9)12-4-2;/h5-8,11-12H,3-4H2,1-2H3;1H.
What are the key properties of 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride?
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride is sourced from PubChem (CID 158225673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).