2,3,6-triethylaniline

C12H19N — CID 21412862

IUPAC2,3,6-triethylaniline
SMILESCCc1ccc(CC)c(CC)c1N
InChIInChI=1S/C12H19N/c1-4-9-7-8-10(5-2)12(13)11(9)6-3/h7-8H,4-6,13H2,1-3H3
InChIKeyMCBDZRUVHWYNJD-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.96
Rot. Bonds3

About 2,3,6-triethylaniline

2,3,6-triethylaniline (PubChem CID 21412862) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2,3,6-triethylaniline.

Molecular Properties

Compound Name2,3,6-triethylaniline
PubChem CID21412862
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2,3,6-triethylaniline
SMILESCCc1ccc(CC)c(CC)c1N
InChIInChI=1S/C12H19N/c1-4-9-7-8-10(5-2)12(13)11(9)6-3/h7-8H,4-6,13H2,1-3H3
InChIKeyMCBDZRUVHWYNJD-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
2,4-diamino-3,5-diethylbenzenethiol
CID 150249754
2,3-diethyl-6-(2-phenylethenyl)aniline
CID 70441795
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
2-amino-3,4,5-triethylbenzenethiol
CID 134347256
2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
CID 150696668
3,4-diethylborinin-2-amine
CID 174519135
1,2-diethyl-3,4-dimethylbenzene
CID 590292
4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol
CID 166924767
2-amino-3,6-diethylbenzonitrile;hydrochloride
CID 82013541
(E)-but-2-enedioic acid;2,3,4-triethylaniline
CID 146567477

Frequently Asked Questions

What is the IUPAC name of 2,3,6-triethylaniline?
The IUPAC name of 2,3,6-triethylaniline (CID 21412862) is 2,3,6-triethylaniline.
What is the SMILES notation for 2,3,6-triethylaniline?
The canonical SMILES for 2,3,6-triethylaniline is CCc1ccc(CC)c(CC)c1N.
What is the InChIKey of 2,3,6-triethylaniline?
The InChIKey is MCBDZRUVHWYNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-9-7-8-10(5-2)12(13)11(9)6-3/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 2,3,6-triethylaniline?
2,3,6-triethylaniline has a molecular weight of 177.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triethylaniline is sourced from PubChem (CID 21412862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).