2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride

C9H16Cl2N2 — CID 155970662

IUPAC2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
SMILESCCN(C)c1ccccc1N.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-3-11(2)9-7-5-4-6-8(9)10;;/h4-7H,3,10H2,1-2H3;2*1H
InChIKeyYKPPKIMYCNZZOL-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.57
Rot. Bonds2

About 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride

2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride (PubChem CID 155970662) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
PubChem CID155970662
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
SMILESCCN(C)c1ccccc1N.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-3-11(2)9-7-5-4-6-8(9)10;;/h4-7H,3,10H2,1-2H3;2*1H
InChIKeyYKPPKIMYCNZZOL-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-methylbenzene-1,2-diamine;quinoline
CID 143742378
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656826
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
2-N-methyl-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115514269
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 62549654
2-N-methyl-2-N-(oxetan-3-ylmethyl)benzene-1,2-diamine
CID 171544441
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 64747727
N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62102958

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride?
The IUPAC name of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride (CID 155970662) is 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride.
What is the SMILES notation for 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride?
The canonical SMILES for 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride is CCN(C)c1ccccc1N.Cl.Cl.
What is the InChIKey of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride?
The InChIKey is YKPPKIMYCNZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-3-11(2)9-7-5-4-6-8(9)10;;/h4-7H,3,10H2,1-2H3;2*1H.
What are the key properties of 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride?
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride is sourced from PubChem (CID 155970662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).