4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline

C20H18N4 — CID 130374140

IUPAC4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline
SMILESC=Nc1ccc(-c2ccc(N)c(/N=C/c3ccccc3)c2)cc1N
InChIInChI=1S/C20H18N4/c1-23-19-10-8-15(11-18(19)22)16-7-9-17(21)20(12-16)24-13-14-5-3-2-4-6-14/h2-13H,1,21-22H2/b24-13+
InChIKeyNHNCHGMVISWBIT-ZMOGYAJESA-N
MW314.39 g/mol
LogP4.60
Rot. Bonds4

About 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline

4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline (PubChem CID 130374140) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline.

Molecular Properties

Compound Name4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline
PubChem CID130374140
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline
SMILESC=Nc1ccc(-c2ccc(N)c(/N=C/c3ccccc3)c2)cc1N
InChIInChI=1S/C20H18N4/c1-23-19-10-8-15(11-18(19)22)16-7-9-17(21)20(12-16)24-13-14-5-3-2-4-6-14/h2-13H,1,21-22H2/b24-13+
InChIKeyNHNCHGMVISWBIT-ZMOGYAJESA-N
XLogP4.60
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline?
The IUPAC name of 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline (CID 130374140) is 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline.
What is the SMILES notation for 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline?
The canonical SMILES for 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline is C=Nc1ccc(-c2ccc(N)c(/N=C/c3ccccc3)c2)cc1N.
What is the InChIKey of 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline?
The InChIKey is NHNCHGMVISWBIT-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H18N4/c1-23-19-10-8-15(11-18(19)22)16-7-9-17(21)20(12-16)24-13-14-5-3-2-4-6-14/h2-13H,1,21-22H2/b24-13+.
What are the key properties of 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline?
4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline has a molecular weight of 314.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline is sourced from PubChem (CID 130374140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).