4-methyl-2-(phenyliminomethyl)aniline

C14H14N2 — CID 139726369

IUPAC4-methyl-2-(phenyliminomethyl)aniline
SMILESCc1ccc(N)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H14N2/c1-11-7-8-14(15)12(9-11)10-16-13-5-3-2-4-6-13/h2-10H,15H2,1H3/b16-10+
InChIKeyGLNBSGCSGNVDNR-MHWRWJLKSA-N
MW210.28 g/mol
LogP3.33
Rot. Bonds2

About 4-methyl-2-(phenyliminomethyl)aniline

4-methyl-2-(phenyliminomethyl)aniline (PubChem CID 139726369) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-2-(phenyliminomethyl)aniline.

Molecular Properties

Compound Name4-methyl-2-(phenyliminomethyl)aniline
PubChem CID139726369
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name4-methyl-2-(phenyliminomethyl)aniline
SMILESCc1ccc(N)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H14N2/c1-11-7-8-14(15)12(9-11)10-16-13-5-3-2-4-6-13/h2-10H,15H2,1H3/b16-10+
InChIKeyGLNBSGCSGNVDNR-MHWRWJLKSA-N
XLogP3.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(phenyliminomethyl)aniline?
The IUPAC name of 4-methyl-2-(phenyliminomethyl)aniline (CID 139726369) is 4-methyl-2-(phenyliminomethyl)aniline.
What is the SMILES notation for 4-methyl-2-(phenyliminomethyl)aniline?
The canonical SMILES for 4-methyl-2-(phenyliminomethyl)aniline is Cc1ccc(N)c(/C=N/c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-(phenyliminomethyl)aniline?
The InChIKey is GLNBSGCSGNVDNR-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2/c1-11-7-8-14(15)12(9-11)10-16-13-5-3-2-4-6-13/h2-10H,15H2,1H3/b16-10+.
What are the key properties of 4-methyl-2-(phenyliminomethyl)aniline?
4-methyl-2-(phenyliminomethyl)aniline has a molecular weight of 210.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(phenyliminomethyl)aniline is sourced from PubChem (CID 139726369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).