1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine

C11H18N2 — CID 59688677

IUPAC1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
SMILESCCNc1ccc(C)cc1N(C)C
InChIInChI=1S/C11H18N2/c1-5-12-10-7-6-9(2)8-11(10)13(3)4/h6-8,12H,5H2,1-4H3
InChIKeyLLYOUKJSMBIIGL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.49
Rot. Bonds3

About 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine

1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine (PubChem CID 59688677) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
PubChem CID59688677
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
SMILESCCNc1ccc(C)cc1N(C)C
InChIInChI=1S/C11H18N2/c1-5-12-10-7-6-9(2)8-11(10)13(3)4/h6-8,12H,5H2,1-4H3
InChIKeyLLYOUKJSMBIIGL-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-4-methylaniline
CID 23348946
2-ethyl-N,N,5-trimethylaniline
CID 59382459
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CID 62511241
N,2-diethyl-5-methylaniline;ethane
CID 143835073
2-[[4-(dimethylamino)phenyl]-[2-(ethylamino)-5-methylphenyl]methyl]-N-ethyl-4-methylaniline
CID 69277634
N-cyclopropyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62508986
2-(ethylamino)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510547
N-[2-(dimethylamino)propyl]-2-(ethylamino)-5-methylbenzamide
CID 62508874
2-(ethylamino)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 62510944
2-(ethylamino)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664232
6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80728955
N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline
CID 82551311

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine (CID 59688677) is 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine is CCNc1ccc(C)cc1N(C)C.
What is the InChIKey of 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine?
The InChIKey is LLYOUKJSMBIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-12-10-7-6-9(2)8-11(10)13(3)4/h6-8,12H,5H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine?
1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine is sourced from PubChem (CID 59688677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).