3-iodo-4-octoxyaniline

C14H22INO — CID 66093383

IUPAC3-iodo-4-octoxyaniline
SMILESCCCCCCCCOc1ccc(N)cc1I
InChIInChI=1S/C14H22INO/c1-2-3-4-5-6-7-10-17-14-9-8-12(16)11-13(14)15/h8-9,11H,2-7,10,16H2,1H3
InChIKeyGUCKZEABKJYXAP-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.61
Rot. Bonds8

About 3-iodo-4-octoxyaniline

3-iodo-4-octoxyaniline (PubChem CID 66093383) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-iodo-4-octoxyaniline.

Molecular Properties

Compound Name3-iodo-4-octoxyaniline
PubChem CID66093383
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC Name3-iodo-4-octoxyaniline
SMILESCCCCCCCCOc1ccc(N)cc1I
InChIInChI=1S/C14H22INO/c1-2-3-4-5-6-7-10-17-14-9-8-12(16)11-13(14)15/h8-9,11H,2-7,10,16H2,1H3
InChIKeyGUCKZEABKJYXAP-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.61
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-4-octoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hexoxy-4-iodoaniline
CID 139793985
4-dodecoxy-3-fluoroaniline
CID 63404209
1,4-didecoxybenzene;1,4-didecoxy-2-iodobenzene
CID 161204847
3-chloro-4-nonoxyaniline
CID 43129005
3-hexadecoxy-4-methylaniline
CID 57081496
3-iodo-4-octan-2-yloxyaniline
CID 66093590
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
4-bromo-3-heptoxyaniline
CID 103008551
4-(3,3-dimethylbutoxy)-3-iodoaniline
CID 66233111
4-hexoxy-3-iodobenzoic acid
CID 44828901
1-heptoxy-2-iodobenzene
CID 63530624
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-octoxyaniline?
The IUPAC name of 3-iodo-4-octoxyaniline (CID 66093383) is 3-iodo-4-octoxyaniline.
What is the SMILES notation for 3-iodo-4-octoxyaniline?
The canonical SMILES for 3-iodo-4-octoxyaniline is CCCCCCCCOc1ccc(N)cc1I.
What is the InChIKey of 3-iodo-4-octoxyaniline?
The InChIKey is GUCKZEABKJYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-2-3-4-5-6-7-10-17-14-9-8-12(16)11-13(14)15/h8-9,11H,2-7,10,16H2,1H3.
What are the key properties of 3-iodo-4-octoxyaniline?
3-iodo-4-octoxyaniline has a molecular weight of 347.24 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-octoxyaniline is sourced from PubChem (CID 66093383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).