2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline

C20H17N3 — CID 142858878

IUPAC2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline
SMILESC=Nc1ccc(-c2ccc(-c3ccccc3)c(N=C)c2)cc1N
InChIInChI=1S/C20H17N3/c1-22-19-11-9-15(12-18(19)21)16-8-10-17(20(13-16)23-2)14-6-4-3-5-7-14/h3-13H,1-2,21H2
InChIKeyCCFVAWGUDVKNJA-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.27
Rot. Bonds4

About 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline

2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline (PubChem CID 142858878) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline.

Molecular Properties

Compound Name2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline
PubChem CID142858878
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline
SMILESC=Nc1ccc(-c2ccc(-c3ccccc3)c(N=C)c2)cc1N
InChIInChI=1S/C20H17N3/c1-22-19-11-9-15(12-18(19)21)16-8-10-17(20(13-16)23-2)14-6-4-3-5-7-14/h3-13H,1-2,21H2
InChIKeyCCFVAWGUDVKNJA-UHFFFAOYSA-N
XLogP5.27
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline
CID 130374140
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
4-(2-phenylphenyl)benzene-1,2-diamine
CID 122667618
2-(2,4-diphenylphenyl)aniline
CID 163426287
4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline
CID 142801680
ethane;2-(methylideneamino)aniline
CID 177015010
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
N-[2-(4-methylphenyl)phenyl]methanimine
CID 54308926
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
aniline;4-(3,4-diaminophenyl)benzene-1,2-diamine
CID 160814118

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline?
The IUPAC name of 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline (CID 142858878) is 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline.
What is the SMILES notation for 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline?
The canonical SMILES for 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline is C=Nc1ccc(-c2ccc(-c3ccccc3)c(N=C)c2)cc1N.
What is the InChIKey of 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline?
The InChIKey is CCFVAWGUDVKNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-22-19-11-9-15(12-18(19)21)16-8-10-17(20(13-16)23-2)14-6-4-3-5-7-14/h3-13H,1-2,21H2.
What are the key properties of 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline?
2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline has a molecular weight of 299.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline is sourced from PubChem (CID 142858878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).