N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline

C22H21N — CID 69459469

IUPACN-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
SMILESC=Cc1ccc(N(c2ccc(C)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C22H21N/c1-4-19-10-14-21(15-11-19)23(20-12-8-17(2)9-13-20)22-7-5-6-18(3)16-22/h4-16H,1H2,2-3H3
InChIKeyYFPCVNQLMBXVRE-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.42
Rot. Bonds4

About N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline

N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline (PubChem CID 69459469) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
PubChem CID69459469
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC NameN-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
SMILESC=Cc1ccc(N(c2ccc(C)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C22H21N/c1-4-19-10-14-21(15-11-19)23(20-12-8-17(2)9-13-20)22-7-5-6-18(3)16-22/h4-16H,1H2,2-3H3
InChIKeyYFPCVNQLMBXVRE-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
CID 21044922
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
N-(3,5-dimethylphenyl)-N-(4-ethenylphenyl)-3,5-dimethylaniline
CID 69460355
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
1-ethenyl-4-methylbenzene;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;4-methyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 159810849
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline (CID 69459469) is N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline is C=Cc1ccc(N(c2ccc(C)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline?
The InChIKey is YFPCVNQLMBXVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-4-19-10-14-21(15-11-19)23(20-12-8-17(2)9-13-20)22-7-5-6-18(3)16-22/h4-16H,1H2,2-3H3.
What are the key properties of N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline?
N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline has a molecular weight of 299.42 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 69459469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).