2-octoxyaniline

C14H23NO — CID 14747235

IUPAC2-octoxyaniline
SMILESCCCCCCCCOc1ccccc1N
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h7-8,10-11H,2-6,9,12,15H2,1H3
InChIKeyOGEFQWOGBSQSDP-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.01
Rot. Bonds8

About 2-octoxyaniline

2-octoxyaniline (PubChem CID 14747235) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-octoxyaniline.

Molecular Properties

Compound Name2-octoxyaniline
PubChem CID14747235
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-octoxyaniline
SMILESCCCCCCCCOc1ccccc1N
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h7-8,10-11H,2-6,9,12,15H2,1H3
InChIKeyOGEFQWOGBSQSDP-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylaniline;2-tetradecoxyaniline
CID 158200068
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
4-fluoro-2-octoxyaniline
CID 43128998
2-tridecoxyphenol
CID 67178320
1-methyl-2-pentadecoxybenzene
CID 154641785
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
2-(3-butylsulfonylpropoxy)aniline
CID 43615873
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1-heptoxy-2-iodobenzene
CID 63530624
1-ethyl-2-heptoxybenzene
CID 22723794

Frequently Asked Questions

What is the IUPAC name of 2-octoxyaniline?
The IUPAC name of 2-octoxyaniline (CID 14747235) is 2-octoxyaniline.
What is the SMILES notation for 2-octoxyaniline?
The canonical SMILES for 2-octoxyaniline is CCCCCCCCOc1ccccc1N.
What is the InChIKey of 2-octoxyaniline?
The InChIKey is OGEFQWOGBSQSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h7-8,10-11H,2-6,9,12,15H2,1H3.
What are the key properties of 2-octoxyaniline?
2-octoxyaniline has a molecular weight of 221.34 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxyaniline is sourced from PubChem (CID 14747235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).