2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine

C10H16N2 — CID 115550058

IUPAC2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
SMILESCCN(C)c1c(C)cccc1N
InChIInChI=1S/C10H16N2/c1-4-12(3)10-8(2)6-5-7-9(10)11/h5-7H,4,11H2,1-3H3
InChIKeyPFSVAGVDQDJIBQ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.03
Rot. Bonds2

About 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine

2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115550058) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115550058
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
SMILESCCN(C)c1c(C)cccc1N
InChIInChI=1S/C10H16N2/c1-4-12(3)10-8(2)6-5-7-9(10)11/h5-7H,4,11H2,1-3H3
InChIKeyPFSVAGVDQDJIBQ-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.03
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

3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884
2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115126142
2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 113333707
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550202
2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 115550334
2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126165
2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115550393
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115126153
1-(2,6-dimethylphenyl)-1-ethylhydrazine
CID 142488614
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
3-(2-amino-N-ethyl-6-methylanilino)propanenitrile
CID 115550305
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 115550226

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine (CID 115550058) is 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine is CCN(C)c1c(C)cccc1N.
What is the InChIKey of 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is PFSVAGVDQDJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-12(3)10-8(2)6-5-7-9(10)11/h5-7H,4,11H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine?
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.03, 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,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115550058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).