4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline

C16H17IN2 — CID 1381576

IUPAC4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline
SMILESCc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1I
InChIInChI=1S/C16H17IN2/c1-12-4-7-14(10-16(12)17)18-11-13-5-8-15(9-6-13)19(2)3/h4-11H,1-3H3/b18-11+
InChIKeyVJNVRNWPGMDJCV-WOJGMQOQSA-N
MW364.23 g/mol
LogP4.42
Rot. Bonds3

About 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline

4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline (PubChem CID 1381576) has the molecular formula C16H17IN2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline
PubChem CID1381576
Molecular FormulaC16H17IN2
Molecular Weight364.23 g/mol
Exact Mass364.04
IUPAC Name4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline
SMILESCc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1I
InChIInChI=1S/C16H17IN2/c1-12-4-7-14(10-16(12)17)18-11-13-5-8-15(9-6-13)19(2)3/h4-11H,1-3H3/b18-11+
InChIKeyVJNVRNWPGMDJCV-WOJGMQOQSA-N
XLogP4.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline (CID 1381576) is 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline is Cc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1I.
What is the InChIKey of 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline?
The InChIKey is VJNVRNWPGMDJCV-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17IN2/c1-12-4-7-14(10-16(12)17)18-11-13-5-8-15(9-6-13)19(2)3/h4-11H,1-3H3/b18-11+.
What are the key properties of 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline?
4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline has a molecular weight of 364.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 1381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).