(3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine

C20H22N2 — CID 144646612

IUPAC(3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine
SMILESC=C/C(N)=C(\C=C)N(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H22N2/c1-4-19(21)20(5-2)22(18-9-7-6-8-10-18)15-17-13-11-16(3)12-14-17/h4-14H,1-2,15,21H2,3H3/b20-19-
InChIKeyGRMLXGXARHFZEG-VXPUYCOJSA-N
MW290.41 g/mol
LogP4.54
Rot. Bonds6

About (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine

(3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine (PubChem CID 144646612) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine.

Molecular Properties

Compound Name(3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine
PubChem CID144646612
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine
SMILESC=C/C(N)=C(\C=C)N(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H22N2/c1-4-19(21)20(5-2)22(18-9-7-6-8-10-18)15-17-13-11-16(3)12-14-17/h4-14H,1-2,15,21H2,3H3/b20-19-
InChIKeyGRMLXGXARHFZEG-VXPUYCOJSA-N
XLogP4.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine 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

N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
1-benzyl-1-phenylguanidine
CID 9460
methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline
CID 143688423
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
2-amino-1-benzyl-1-phenylguanidine;hydroiodide
CID 54598495
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39357021
N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide
CID 175521357
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108975315
2-amino-N-[(4-ethylphenyl)methyl]-N-phenylacetamide
CID 39367115
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine?
The IUPAC name of (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine (CID 144646612) is (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine.
What is the SMILES notation for (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine?
The canonical SMILES for (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine is C=C/C(N)=C(\C=C)N(Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine?
The InChIKey is GRMLXGXARHFZEG-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H22N2/c1-4-19(21)20(5-2)22(18-9-7-6-8-10-18)15-17-13-11-16(3)12-14-17/h4-14H,1-2,15,21H2,3H3/b20-19-.
What are the key properties of (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine?
(3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine has a molecular weight of 290.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-N-[(4-methylphenyl)methyl]-4-N-phenylhexa-1,3,5-triene-3,4-diamine is sourced from PubChem (CID 144646612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).