N-(3-ethylphenyl)-2,4,6-trimethylaniline

C17H21N — CID 127045044

IUPACN-(3-ethylphenyl)-2,4,6-trimethylaniline
SMILESCCc1cccc(Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H21N/c1-5-15-7-6-8-16(11-15)18-17-13(3)9-12(2)10-14(17)4/h6-11,18H,5H2,1-4H3
InChIKeyGLRSBLNBXJGMMC-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.92
Rot. Bonds3

About N-(3-ethylphenyl)-2,4,6-trimethylaniline

N-(3-ethylphenyl)-2,4,6-trimethylaniline (PubChem CID 127045044) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2,4,6-trimethylaniline
PubChem CID127045044
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-(3-ethylphenyl)-2,4,6-trimethylaniline
SMILESCCc1cccc(Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H21N/c1-5-15-7-6-8-16(11-15)18-17-13(3)9-12(2)10-14(17)4/h6-11,18H,5H2,1-4H3
InChIKeyGLRSBLNBXJGMMC-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2995
o-Tolidine
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4,4'-Diamino-3,3'-dimethyldiphenylmethane
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4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Iminodibenyl
CID 10308
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
4,4'-Dioctyldiphenylamine
CID 7569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-(3-Methylphenyl)aniline
CID 14569

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(3-ethylphenyl)-2,4,6-trimethylaniline (CID 127045044) is N-(3-ethylphenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(3-ethylphenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(3-ethylphenyl)-2,4,6-trimethylaniline is CCc1cccc(Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2,4,6-trimethylaniline?
The InChIKey is GLRSBLNBXJGMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-5-15-7-6-8-16(11-15)18-17-13(3)9-12(2)10-14(17)4/h6-11,18H,5H2,1-4H3.
What are the key properties of N-(3-ethylphenyl)-2,4,6-trimethylaniline?
N-(3-ethylphenyl)-2,4,6-trimethylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 127045044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).