2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine

C17H25N3 — CID 161139066

IUPAC2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
SMILESCCc1ccccc1N.CNc1ccccc1N(C)C
InChIInChI=1S/C9H14N2.C8H11N/c1-10-8-6-4-5-7-9(8)11(2)3;1-2-7-5-3-4-6-8(7)9/h4-7,10H,1-3H3;3-6H,2,9H2,1H3
InChIKeyUNENAYQBBATLBW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.63
Rot. Bonds3

About 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine

2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine (PubChem CID 161139066) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
PubChem CID161139066
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
SMILESCCc1ccccc1N.CNc1ccccc1N(C)C
InChIInChI=1S/C9H14N2.C8H11N/c1-10-8-6-4-5-7-9(8)11(2)3;1-2-7-5-3-4-6-8(7)9/h4-7,10H,1-3H3;3-6H,2,9H2,1H3
InChIKeyUNENAYQBBATLBW-UHFFFAOYSA-N
XLogP3.63
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
1-N,2-N-dimethyl-2-N-[2-(methylamino)phenyl]benzene-1,2-diamine
CID 22968799
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
N-[(2-aminophenyl)methoxy]-2-ethylaniline
CID 154966075
2-ethylaniline;sulfuric acid
CID 67820112
ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 142426314
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
methyl (2S)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801098

Frequently Asked Questions

What is the IUPAC name of 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The IUPAC name of 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine (CID 161139066) is 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The canonical SMILES for 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine is CCc1ccccc1N.CNc1ccccc1N(C)C.
What is the InChIKey of 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The InChIKey is UNENAYQBBATLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C8H11N/c1-10-8-6-4-5-7-9(8)11(2)3;1-2-7-5-3-4-6-8(7)9/h4-7,10H,1-3H3;3-6H,2,9H2,1H3.
What are the key properties of 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine is sourced from PubChem (CID 161139066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).