N-methyl-N-(2-phenylethylideneamino)aniline

C15H16N2 — CID 54541691

IUPACN-methyl-N-(2-phenylethylideneamino)aniline
SMILESCN(N=CCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2/c1-17(15-10-6-3-7-11-15)16-13-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyZDQPNGCIRQELGE-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.35
Rot. Bonds4

About N-methyl-N-(2-phenylethylideneamino)aniline

N-methyl-N-(2-phenylethylideneamino)aniline (PubChem CID 54541691) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethylideneamino)aniline.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethylideneamino)aniline
PubChem CID54541691
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN-methyl-N-(2-phenylethylideneamino)aniline
SMILESCN(N=CCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2/c1-17(15-10-6-3-7-11-15)16-13-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyZDQPNGCIRQELGE-UHFFFAOYSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethylideneamino)aniline?
The IUPAC name of N-methyl-N-(2-phenylethylideneamino)aniline (CID 54541691) is N-methyl-N-(2-phenylethylideneamino)aniline.
What is the SMILES notation for N-methyl-N-(2-phenylethylideneamino)aniline?
The canonical SMILES for N-methyl-N-(2-phenylethylideneamino)aniline is CN(N=CCc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethylideneamino)aniline?
The InChIKey is ZDQPNGCIRQELGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-17(15-10-6-3-7-11-15)16-13-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethylideneamino)aniline?
N-methyl-N-(2-phenylethylideneamino)aniline has a molecular weight of 224.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethylideneamino)aniline is sourced from PubChem (CID 54541691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).