N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline

C28H33NO — CID 122484922

IUPACN-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline
SMILESCCC(C)(Nc1c(C)cc(C)cc1C)c1ccc(C=Cc2cccc(OC)c2)cc1
InChIInChI=1S/C28H33NO/c1-7-28(5,29-27-21(3)17-20(2)18-22(27)4)25-15-13-23(14-16-25)11-12-24-9-8-10-26(19-24)30-6/h8-19,29H,7H2,1-6H3
InChIKeyCHVIKUJEAZTVJQ-UHFFFAOYSA-N
MW399.58 g/mol
LogP7.53
Rot. Bonds7

About N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline

N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline (PubChem CID 122484922) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline
PubChem CID122484922
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC NameN-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline
SMILESCCC(C)(Nc1c(C)cc(C)cc1C)c1ccc(C=Cc2cccc(OC)c2)cc1
InChIInChI=1S/C28H33NO/c1-7-28(5,29-27-21(3)17-20(2)18-22(27)4)25-15-13-23(14-16-25)11-12-24-9-8-10-26(19-24)30-6/h8-19,29H,7H2,1-6H3
InChIKeyCHVIKUJEAZTVJQ-UHFFFAOYSA-N
XLogP7.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Allylsulfanylmethyl-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 9950357
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-phenethylsulfanylmethyl-1,2-dihydroquinoline
CID 10001914
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
4-[1-(2-Cyclohexylethoxy)ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10070722
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[3-phenyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10071910
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
4-Benzylsulfanylmethyl-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10341012
6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-{[(2E)-3-phenylprop-2-en-1-yl]oxy}ethyl)-1,2-dihydroquinoline
CID 10342379
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline?
The IUPAC name of N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline (CID 122484922) is N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline is CCC(C)(Nc1c(C)cc(C)cc1C)c1ccc(C=Cc2cccc(OC)c2)cc1.
What is the InChIKey of N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline?
The InChIKey is CHVIKUJEAZTVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO/c1-7-28(5,29-27-21(3)17-20(2)18-22(27)4)25-15-13-23(14-16-25)11-12-24-9-8-10-26(19-24)30-6/h8-19,29H,7H2,1-6H3.
What are the key properties of N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline?
N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline has a molecular weight of 399.58 g/mol, XLogP of 7.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline is sourced from PubChem (CID 122484922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).