(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine

C30H29N — CID 132850322

IUPAC(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
SMILESCc1ccc(/C=C(\c2ccc(C)cc2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H29N/c1-24-13-17-26(18-14-24)21-30(29-19-15-25(2)16-20-29)31(22-27-9-5-3-6-10-27)23-28-11-7-4-8-12-28/h3-21H,22-23H2,1-2H3/b30-21+
InChIKeyYTZONWNIZOZXRS-MWAVMZGNSA-N
MW403.57 g/mol
LogP7.50
Rot. Bonds7

About (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine

(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine (PubChem CID 132850322) has the molecular formula C30H29N and a molecular weight of 403.57 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
PubChem CID132850322
Molecular FormulaC30H29N
Molecular Weight403.57 g/mol
Exact Mass403.23
IUPAC Name(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
SMILESCc1ccc(/C=C(\c2ccc(C)cc2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H29N/c1-24-13-17-26(18-14-24)21-30(29-19-15-25(2)16-20-29)31(22-27-9-5-3-6-10-27)23-28-11-7-4-8-12-28/h3-21H,22-23H2,1-2H3/b30-21+
InChIKeyYTZONWNIZOZXRS-MWAVMZGNSA-N
XLogP7.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 66614363
N-benzyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]ethanethioamide
CID 132966982
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-benzyl-N-[(Z)-1-naphthalen-2-yl-2-phenylethenyl]acetamide
CID 102487066
4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid
CID 10735824
ethyl (E)-3-(dibenzylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 166069435
(E)-2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 158443747

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine?
The IUPAC name of (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine (CID 132850322) is (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine.
What is the SMILES notation for (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine?
The canonical SMILES for (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine is Cc1ccc(/C=C(\c2ccc(C)cc2)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine?
The InChIKey is YTZONWNIZOZXRS-MWAVMZGNSA-N. The full InChI is InChI=1S/C30H29N/c1-24-13-17-26(18-14-24)21-30(29-19-15-25(2)16-20-29)31(22-27-9-5-3-6-10-27)23-28-11-7-4-8-12-28/h3-21H,22-23H2,1-2H3/b30-21+.
What are the key properties of (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine?
(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine has a molecular weight of 403.57 g/mol, XLogP of 7.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine is sourced from PubChem (CID 132850322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).