N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline

C17H20N2 — CID 13221727

IUPACN,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline
SMILESC/C(=N\c1ccc(N(C)C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20N2/c1-13-5-7-15(8-6-13)14(2)18-16-9-11-17(12-10-16)19(3)4/h5-12H,1-4H3/b18-14+
InChIKeyLSHKPTQTPPKNQO-NBVRZTHBSA-N
MW252.36 g/mol
LogP4.20
Rot. Bonds3

About N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline

N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline (PubChem CID 13221727) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline
PubChem CID13221727
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline
SMILESC/C(=N\c1ccc(N(C)C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20N2/c1-13-5-7-15(8-6-13)14(2)18-16-9-11-17(12-10-16)19(3)4/h5-12H,1-4H3/b18-14+
InChIKeyLSHKPTQTPPKNQO-NBVRZTHBSA-N
XLogP4.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline (CID 13221727) is N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline is C/C(=N\c1ccc(N(C)C)cc1)c1ccc(C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline?
The InChIKey is LSHKPTQTPPKNQO-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-5-7-15(8-6-13)14(2)18-16-9-11-17(12-10-16)19(3)4/h5-12H,1-4H3/b18-14+.
What are the key properties of N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline?
N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline has a molecular weight of 252.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(4-methylphenyl)ethylideneamino]aniline is sourced from PubChem (CID 13221727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).