1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine

C30H36N2 — CID 144916136

IUPAC1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine
SMILESC=C(NCc1cccc(CNC(=C)c2ccc(C)c(C)c2C)c1)c1ccc(C)c(C)c1C
InChIInChI=1S/C30H36N2/c1-19-12-14-29(23(5)21(19)3)25(7)31-17-27-10-9-11-28(16-27)18-32-26(8)30-15-13-20(2)22(4)24(30)6/h9-16,31-32H,7-8,17-18H2,1-6H3
InChIKeyCDZGLHJLZJYCLA-UHFFFAOYSA-N
MW424.63 g/mol
LogP7.06
Rot. Bonds8

About 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine

1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine (PubChem CID 144916136) has the molecular formula C30H36N2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine.

Molecular Properties

Compound Name1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine
PubChem CID144916136
Molecular FormulaC30H36N2
Molecular Weight424.63 g/mol
Exact Mass424.29
IUPAC Name1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine
SMILESC=C(NCc1cccc(CNC(=C)c2ccc(C)c(C)c2C)c1)c1ccc(C)c(C)c1C
InChIInChI=1S/C30H36N2/c1-19-12-14-29(23(5)21(19)3)25(7)31-17-27-10-9-11-28(16-27)18-32-26(8)30-15-13-20(2)22(4)24(30)6/h9-16,31-32H,7-8,17-18H2,1-6H3
InChIKeyCDZGLHJLZJYCLA-UHFFFAOYSA-N
XLogP7.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine with MolForge

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Related Compounds

1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine
CID 144948488
N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
CID 20647301
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
CID 143602189
N-[(3-methylphenyl)methyl]pent-1-en-2-amine
CID 166967486
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
CID 2901283
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955
S-methyl N-[[3-[(methylsulfanylcarbonylamino)methyl]phenyl]methyl]carbamothioate
CID 58004919
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 23824532
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine?
The IUPAC name of 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine (CID 144916136) is 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine.
What is the SMILES notation for 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine?
The canonical SMILES for 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine is C=C(NCc1cccc(CNC(=C)c2ccc(C)c(C)c2C)c1)c1ccc(C)c(C)c1C.
What is the InChIKey of 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine?
The InChIKey is CDZGLHJLZJYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2/c1-19-12-14-29(23(5)21(19)3)25(7)31-17-27-10-9-11-28(16-27)18-32-26(8)30-15-13-20(2)22(4)24(30)6/h9-16,31-32H,7-8,17-18H2,1-6H3.
What are the key properties of 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine?
1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine has a molecular weight of 424.63 g/mol, XLogP of 7.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethylphenyl)-N-[[3-[[1-(2,3,4-trimethylphenyl)ethenylamino]methyl]phenyl]methyl]ethenamine is sourced from PubChem (CID 144916136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).