3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline

C23H23N — CID 126519224

IUPAC3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline
SMILESC=C(Nc1ccc(C)c(C)c1)c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C23H23N/c1-16-13-14-21(15-18(16)3)24-19(4)23-17(2)9-8-12-22(23)20-10-6-5-7-11-20/h5-15,24H,4H2,1-3H3
InChIKeyCVJPICWDIFDUCS-UHFFFAOYSA-N
MW313.44 g/mol
LogP6.36
Rot. Bonds4

About 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline

3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline (PubChem CID 126519224) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline
PubChem CID126519224
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline
SMILESC=C(Nc1ccc(C)c(C)c1)c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C23H23N/c1-16-13-14-21(15-18(16)3)24-19(4)23-17(2)9-8-12-22(23)20-10-6-5-7-11-20/h5-15,24H,4H2,1-3H3
InChIKeyCVJPICWDIFDUCS-UHFFFAOYSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline (CID 126519224) is 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline is C=C(Nc1ccc(C)c(C)c1)c1c(C)cccc1-c1ccccc1.
What is the InChIKey of 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline?
The InChIKey is CVJPICWDIFDUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-16-13-14-21(15-18(16)3)24-19(4)23-17(2)9-8-12-22(23)20-10-6-5-7-11-20/h5-15,24H,4H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline?
3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline has a molecular weight of 313.44 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline is sourced from PubChem (CID 126519224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).