2-ethoxy-N-nonylaniline

C17H29NO — CID 43129179

IUPAC2-ethoxy-N-nonylaniline
SMILESCCCCCCCCCNc1ccccc1OCC
InChIInChI=1S/C17H29NO/c1-3-5-6-7-8-9-12-15-18-16-13-10-11-14-17(16)19-4-2/h10-11,13-14,18H,3-9,12,15H2,1-2H3
InChIKeyPXTKLGDRHRQZPP-UHFFFAOYSA-N
MW263.43 g/mol
LogP5.25
Rot. Bonds11

About 2-ethoxy-N-nonylaniline

2-ethoxy-N-nonylaniline (PubChem CID 43129179) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethoxy-N-nonylaniline.

Molecular Properties

Compound Name2-ethoxy-N-nonylaniline
PubChem CID43129179
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethoxy-N-nonylaniline
SMILESCCCCCCCCCNc1ccccc1OCC
InChIInChI=1S/C17H29NO/c1-3-5-6-7-8-9-12-15-18-16-13-10-11-14-17(16)19-4-2/h10-11,13-14,18H,3-9,12,15H2,1-2H3
InChIKeyPXTKLGDRHRQZPP-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807395
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
4-(2-butoxyanilino)butan-1-ol
CID 54803446
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
N-(2-ethoxyphenyl)octanamide
CID 4158866

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-nonylaniline?
The IUPAC name of 2-ethoxy-N-nonylaniline (CID 43129179) is 2-ethoxy-N-nonylaniline.
What is the SMILES notation for 2-ethoxy-N-nonylaniline?
The canonical SMILES for 2-ethoxy-N-nonylaniline is CCCCCCCCCNc1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-nonylaniline?
The InChIKey is PXTKLGDRHRQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-6-7-8-9-12-15-18-16-13-10-11-14-17(16)19-4-2/h10-11,13-14,18H,3-9,12,15H2,1-2H3.
What are the key properties of 2-ethoxy-N-nonylaniline?
2-ethoxy-N-nonylaniline has a molecular weight of 263.43 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-nonylaniline is sourced from PubChem (CID 43129179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).