3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline

C21H19ClN2 — CID 122382260

IUPAC3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline
SMILESCc1ccc(/N=C/c2c(Cl)cccc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H19ClN2/c1-15-6-10-17(11-7-15)23-14-19-20(22)4-3-5-21(19)24-18-12-8-16(2)9-13-18/h3-14,24H,1-2H3/b23-14+
InChIKeyNUSLERDSGJXSPG-OEAKJJBVSA-N
MW334.85 g/mol
LogP6.45
Rot. Bonds4

About 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline

3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline (PubChem CID 122382260) has the molecular formula C21H19ClN2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline
PubChem CID122382260
Molecular FormulaC21H19ClN2
Molecular Weight334.85 g/mol
Exact Mass334.12
IUPAC Name3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline
SMILESCc1ccc(/N=C/c2c(Cl)cccc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H19ClN2/c1-15-6-10-17(11-7-15)23-14-19-20(22)4-3-5-21(19)24-18-12-8-16(2)9-13-18/h3-14,24H,1-2H3/b23-14+
InChIKeyNUSLERDSGJXSPG-OEAKJJBVSA-N
XLogP6.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline?
The IUPAC name of 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline (CID 122382260) is 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline.
What is the SMILES notation for 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline?
The canonical SMILES for 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline is Cc1ccc(/N=C/c2c(Cl)cccc2Nc2ccc(C)cc2)cc1.
What is the InChIKey of 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline?
The InChIKey is NUSLERDSGJXSPG-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19ClN2/c1-15-6-10-17(11-7-15)23-14-19-20(22)4-3-5-21(19)24-18-12-8-16(2)9-13-18/h3-14,24H,1-2H3/b23-14+.
What are the key properties of 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline?
3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline has a molecular weight of 334.85 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline is sourced from PubChem (CID 122382260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).