4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline

C25H25N — CID 10617075

IUPAC4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
SMILESCc1ccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C25H25N/c1-22-16-18-25(19-17-22)26(20-8-14-23-10-4-2-5-11-23)21-9-15-24-12-6-3-7-13-24/h2-19H,20-21H2,1H3/b14-8+,15-9+
InChIKeyHNENZQQOAAIDCZ-VOMDNODZSA-N
MW339.48 g/mol
LogP6.23
Rot. Bonds7

About 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline

4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 10617075) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
PubChem CID10617075
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
SMILESCc1ccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C25H25N/c1-22-16-18-25(19-17-22)26(20-8-14-23-10-4-2-5-11-23)21-9-15-24-12-6-3-7-13-24/h2-19H,20-21H2,1H3/b14-8+,15-9+
InChIKeyHNENZQQOAAIDCZ-VOMDNODZSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
CID 173290020
4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
CID 154621294
3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea
CID 4022936
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2,2-bis[4-[ethyl(3-phenylprop-2-enyl)amino]phenyl]propanoic acid
CID 54376838
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
N,N-diethyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 58518835
N-[(4-methylphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 4723953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline (CID 10617075) is 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline is Cc1ccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is HNENZQQOAAIDCZ-VOMDNODZSA-N. The full InChI is InChI=1S/C25H25N/c1-22-16-18-25(19-17-22)26(20-8-14-23-10-4-2-5-11-23)21-9-15-24-12-6-3-7-13-24/h2-19H,20-21H2,1H3/b14-8+,15-9+.
What are the key properties of 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline?
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 339.48 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 10617075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).