2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline

C18H23NO — CID 139620226

IUPAC2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C18H23NO/c1-4-13-20-17-11-9-16(10-12-17)19-18-14(3)7-6-8-15(18)5-2/h6-12,19H,4-5,13H2,1-3H3
InChIKeyOFRCRLZOCWQKNF-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.09
Rot. Bonds6

About 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline

2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline (PubChem CID 139620226) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
PubChem CID139620226
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C18H23NO/c1-4-13-20-17-11-9-16(10-12-17)19-18-14(3)7-6-8-15(18)5-2/h6-12,19H,4-5,13H2,1-3H3
InChIKeyOFRCRLZOCWQKNF-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54810064
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
CID 7719171
2-(2-ethyl-6-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54819274
5-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109198604
2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
CID 54798412
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
N-(2-ethyl-6-methylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198585
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline?
The IUPAC name of 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline (CID 139620226) is 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline is CCCOc1ccc(Nc2c(C)cccc2CC)cc1.
What is the InChIKey of 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline?
The InChIKey is OFRCRLZOCWQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13-20-17-11-9-16(10-12-17)19-18-14(3)7-6-8-15(18)5-2/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline?
2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline is sourced from PubChem (CID 139620226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).