N-octoxyaniline

C14H23NO — CID 53446638

IUPACN-octoxyaniline
SMILESCCCCCCCCONc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-10-13-16-15-14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3
InChIKeyJBKSWECGLJKHNP-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.39
Rot. Bonds9

About N-octoxyaniline

N-octoxyaniline (PubChem CID 53446638) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-octoxyaniline.

Molecular Properties

Compound NameN-octoxyaniline
PubChem CID53446638
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-octoxyaniline
SMILESCCCCCCCCONc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-10-13-16-15-14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3
InChIKeyJBKSWECGLJKHNP-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-octoxyaniline?
The IUPAC name of N-octoxyaniline (CID 53446638) is N-octoxyaniline.
What is the SMILES notation for N-octoxyaniline?
The canonical SMILES for N-octoxyaniline is CCCCCCCCONc1ccccc1.
What is the InChIKey of N-octoxyaniline?
The InChIKey is JBKSWECGLJKHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-10-13-16-15-14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3.
What are the key properties of N-octoxyaniline?
N-octoxyaniline has a molecular weight of 221.34 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octoxyaniline is sourced from PubChem (CID 53446638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).