4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine

C19H18N4 — CID 134385840

IUPAC4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine
SMILESC=Nc1ccc(Nc2ccc(Nc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C19H18N4/c1-21-15-6-8-17(9-7-15)23-19-12-10-18(11-13-19)22-16-4-2-14(20)3-5-16/h2-13,22-23H,1,20H2
InChIKeyMPMBXJIWZOIQRN-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.09
Rot. Bonds5

About 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine

4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine (PubChem CID 134385840) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine
PubChem CID134385840
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine
SMILESC=Nc1ccc(Nc2ccc(Nc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C19H18N4/c1-21-15-6-8-17(9-7-15)23-19-12-10-18(11-13-19)22-16-4-2-14(20)3-5-16/h2-13,22-23H,1,20H2
InChIKeyMPMBXJIWZOIQRN-UHFFFAOYSA-N
XLogP5.09
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine (CID 134385840) is 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine is C=Nc1ccc(Nc2ccc(Nc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine?
The InChIKey is MPMBXJIWZOIQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-21-15-6-8-17(9-7-15)23-19-12-10-18(11-13-19)22-16-4-2-14(20)3-5-16/h2-13,22-23H,1,20H2.
What are the key properties of 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine?
4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 134385840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).