4-methyl-N-(phenylmethylideneamino)aniline

C14H13N2+ — CID 54695644

IUPAC4-methyl-N-(phenylmethylideneamino)aniline
SMILESCc1ccc(N/N=[C+]/c2ccccc2)cc1
InChIInChI=1S/C14H13N2/c1-12-7-9-14(10-8-12)16-15-11-13-5-3-2-4-6-13/h2-10,16H,1H3/q+1
InChIKeyWCBYHYZBOVJDDX-UHFFFAOYSA-N
MW209.27 g/mol
LogP3.32
Rot. Bonds3

About 4-methyl-N-(phenylmethylideneamino)aniline

4-methyl-N-(phenylmethylideneamino)aniline (PubChem CID 54695644) has the molecular formula C14H13N2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-methyl-N-(phenylmethylideneamino)aniline.

Molecular Properties

Compound Name4-methyl-N-(phenylmethylideneamino)aniline
PubChem CID54695644
Molecular FormulaC14H13N2+
Molecular Weight209.27 g/mol
Exact Mass209.11
IUPAC Name4-methyl-N-(phenylmethylideneamino)aniline
SMILESCc1ccc(N/N=[C+]/c2ccccc2)cc1
InChIInChI=1S/C14H13N2/c1-12-7-9-14(10-8-12)16-15-11-13-5-3-2-4-6-13/h2-10,16H,1H3/q+1
InChIKeyWCBYHYZBOVJDDX-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-(fluoren-9-ylideneamino)-4-methylaniline
CID 4130822
benzene;bis(1,4-xylene)
CID 159472747
(3E)-4-imino-3-[(4-methylphenyl)hydrazinylidene]-4-phenylbutan-2-one
CID 11357944
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-methylaniline
CID 9059450
radon;toluene;1,4-xylene
CID 174747246
chloromethane;toluene
CID 178022822
titanium(2+);toluene
CID 22023820
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(phenylmethylideneamino)aniline?
The IUPAC name of 4-methyl-N-(phenylmethylideneamino)aniline (CID 54695644) is 4-methyl-N-(phenylmethylideneamino)aniline.
What is the SMILES notation for 4-methyl-N-(phenylmethylideneamino)aniline?
The canonical SMILES for 4-methyl-N-(phenylmethylideneamino)aniline is Cc1ccc(N/N=[C+]/c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(phenylmethylideneamino)aniline?
The InChIKey is WCBYHYZBOVJDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2/c1-12-7-9-14(10-8-12)16-15-11-13-5-3-2-4-6-13/h2-10,16H,1H3/q+1.
What are the key properties of 4-methyl-N-(phenylmethylideneamino)aniline?
4-methyl-N-(phenylmethylideneamino)aniline has a molecular weight of 209.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(phenylmethylideneamino)aniline is sourced from PubChem (CID 54695644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).