4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline

C23H32INO — CID 154621185

IUPAC4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
SMILESCCCCCCCCCN(Cc1ccc(OC)cc1)c1ccc(I)cc1
InChIInChI=1S/C23H32INO/c1-3-4-5-6-7-8-9-18-25(22-14-12-21(24)13-15-22)19-20-10-16-23(26-2)17-11-20/h10-17H,3-9,18-19H2,1-2H3
InChIKeyZCJLSDOHYLSYSJ-UHFFFAOYSA-N
MW465.42 g/mol
LogP7.06
Rot. Bonds12

About 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline

4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline (PubChem CID 154621185) has the molecular formula C23H32INO and a molecular weight of 465.42 g/mol. Its IUPAC name is 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline.

Molecular Properties

Compound Name4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
PubChem CID154621185
Molecular FormulaC23H32INO
Molecular Weight465.42 g/mol
Exact Mass465.15
IUPAC Name4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
SMILESCCCCCCCCCN(Cc1ccc(OC)cc1)c1ccc(I)cc1
InChIInChI=1S/C23H32INO/c1-3-4-5-6-7-8-9-18-25(22-14-12-21(24)13-15-22)19-20-10-16-23(26-2)17-11-20/h10-17H,3-9,18-19H2,1-2H3
InChIKeyZCJLSDOHYLSYSJ-UHFFFAOYSA-N
XLogP7.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline?
The IUPAC name of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline (CID 154621185) is 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline.
What is the SMILES notation for 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline?
The canonical SMILES for 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline is CCCCCCCCCN(Cc1ccc(OC)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline?
The InChIKey is ZCJLSDOHYLSYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32INO/c1-3-4-5-6-7-8-9-18-25(22-14-12-21(24)13-15-22)19-20-10-16-23(26-2)17-11-20/h10-17H,3-9,18-19H2,1-2H3.
What are the key properties of 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline?
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline has a molecular weight of 465.42 g/mol, XLogP of 7.06, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline is sourced from PubChem (CID 154621185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).