2,6-diethyl-N-(3-ethylphenyl)aniline

C18H23N — CID 139833761

IUPAC2,6-diethyl-N-(3-ethylphenyl)aniline
SMILESCCc1cccc(Nc2c(CC)cccc2CC)c1
InChIInChI=1S/C18H23N/c1-4-14-9-7-12-17(13-14)19-18-15(5-2)10-8-11-16(18)6-3/h7-13,19H,4-6H2,1-3H3
InChIKeyCYQMIAAEHRUCGT-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.12
Rot. Bonds5

About 2,6-diethyl-N-(3-ethylphenyl)aniline

2,6-diethyl-N-(3-ethylphenyl)aniline (PubChem CID 139833761) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,6-diethyl-N-(3-ethylphenyl)aniline.

Molecular Properties

Compound Name2,6-diethyl-N-(3-ethylphenyl)aniline
PubChem CID139833761
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,6-diethyl-N-(3-ethylphenyl)aniline
SMILESCCc1cccc(Nc2c(CC)cccc2CC)c1
InChIInChI=1S/C18H23N/c1-4-14-9-7-12-17(13-14)19-18-15(5-2)10-8-11-16(18)6-3/h7-13,19H,4-6H2,1-3H3
InChIKeyCYQMIAAEHRUCGT-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethyl-N-phenylaniline
CID 45095580
N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
CID 117027291
2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 113333679
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
CID 58064173
CID 58064173
4-N-(2,6-diethylphenyl)benzene-1,4-diamine
CID 82292813
N-(4-tert-butylphenyl)-2,6-diethylaniline
CID 176876729
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372
(3-ethylanilino) thiohypofluorite
CID 175524944
N'-(3-ethylphenyl)methanediamine
CID 89312870
2-(3-ethylanilino)-3-nitrobenzoic acid
CID 115932132
3-(1,3-benzoxazol-6-ylamino)-4-(3-ethylanilino)cyclobut-3-ene-1,2-dione
CID 175495910

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-(3-ethylphenyl)aniline?
The IUPAC name of 2,6-diethyl-N-(3-ethylphenyl)aniline (CID 139833761) is 2,6-diethyl-N-(3-ethylphenyl)aniline.
What is the SMILES notation for 2,6-diethyl-N-(3-ethylphenyl)aniline?
The canonical SMILES for 2,6-diethyl-N-(3-ethylphenyl)aniline is CCc1cccc(Nc2c(CC)cccc2CC)c1.
What is the InChIKey of 2,6-diethyl-N-(3-ethylphenyl)aniline?
The InChIKey is CYQMIAAEHRUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-14-9-7-12-17(13-14)19-18-15(5-2)10-8-11-16(18)6-3/h7-13,19H,4-6H2,1-3H3.
What are the key properties of 2,6-diethyl-N-(3-ethylphenyl)aniline?
2,6-diethyl-N-(3-ethylphenyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-(3-ethylphenyl)aniline is sourced from PubChem (CID 139833761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).