4-methyl-N-(2-octoxyethyl)aniline

C17H29NO — CID 55196858

IUPAC4-methyl-N-(2-octoxyethyl)aniline
SMILESCCCCCCCCOCCNc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-3-4-5-6-7-8-14-19-15-13-18-17-11-9-16(2)10-12-17/h9-12,18H,3-8,13-15H2,1-2H3
InChIKeyWBZFKHFRYMTDTK-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.78
Rot. Bonds11

About 4-methyl-N-(2-octoxyethyl)aniline

4-methyl-N-(2-octoxyethyl)aniline (PubChem CID 55196858) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-methyl-N-(2-octoxyethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(2-octoxyethyl)aniline
PubChem CID55196858
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-methyl-N-(2-octoxyethyl)aniline
SMILESCCCCCCCCOCCNc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-3-4-5-6-7-8-14-19-15-13-18-17-11-9-16(2)10-12-17/h9-12,18H,3-8,13-15H2,1-2H3
InChIKeyWBZFKHFRYMTDTK-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.78
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

4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
4-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
4-methyl-N-octylaniline
CID 11816856
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
N-(12-dodecoxydodecyl)aniline
CID 54486065
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
N-(4-methylphenyl)-3-octoxypropane-1-sulfonamide
CID 22889852

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-octoxyethyl)aniline?
The IUPAC name of 4-methyl-N-(2-octoxyethyl)aniline (CID 55196858) is 4-methyl-N-(2-octoxyethyl)aniline.
What is the SMILES notation for 4-methyl-N-(2-octoxyethyl)aniline?
The canonical SMILES for 4-methyl-N-(2-octoxyethyl)aniline is CCCCCCCCOCCNc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-octoxyethyl)aniline?
The InChIKey is WBZFKHFRYMTDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-4-5-6-7-8-14-19-15-13-18-17-11-9-16(2)10-12-17/h9-12,18H,3-8,13-15H2,1-2H3.
What are the key properties of 4-methyl-N-(2-octoxyethyl)aniline?
4-methyl-N-(2-octoxyethyl)aniline has a molecular weight of 263.43 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-octoxyethyl)aniline is sourced from PubChem (CID 55196858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).