N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine

C25H23NO — CID 126560139

IUPACN-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine
SMILESC=Cc1ccccc1-c1c(C)oc2c(Nc3c(C)cccc3C)cccc12
InChIInChI=1S/C25H23NO/c1-5-19-12-6-7-13-20(19)23-18(4)27-25-21(23)14-9-15-22(25)26-24-16(2)10-8-11-17(24)3/h5-15,26H,1H2,2-4H3
InChIKeyUABVCBDLNDBOAP-UHFFFAOYSA-N
MW353.47 g/mol
LogP7.41
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine

N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine (PubChem CID 126560139) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine
PubChem CID126560139
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC NameN-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine
SMILESC=Cc1ccccc1-c1c(C)oc2c(Nc3c(C)cccc3C)cccc12
InChIInChI=1S/C25H23NO/c1-5-19-12-6-7-13-20(19)23-18(4)27-25-21(23)14-9-15-22(25)26-24-16(2)10-8-11-17(24)3/h5-15,26H,1H2,2-4H3
InChIKeyUABVCBDLNDBOAP-UHFFFAOYSA-N
XLogP7.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-2-methyl-3-(2-methylphenyl)benzene
CID 141001352
N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
CID 102518992
1,2-bis(ethenyl)-3-(2-methylphenyl)benzene
CID 143516768
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene
CID 144990131
2-(3-ethenyl-6-methyldibenzofuran-4-yl)pyridine
CID 144831188
N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine
CID 163666091
2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-methylfuran
CID 14547808
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene
CID 139839744

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine (CID 126560139) is N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine is C=Cc1ccccc1-c1c(C)oc2c(Nc3c(C)cccc3C)cccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine?
The InChIKey is UABVCBDLNDBOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-5-19-12-6-7-13-20(19)23-18(4)27-25-21(23)14-9-15-22(25)26-24-16(2)10-8-11-17(24)3/h5-15,26H,1H2,2-4H3.
What are the key properties of N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine?
N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine has a molecular weight of 353.47 g/mol, XLogP of 7.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(2-ethenylphenyl)-2-methyl-1-benzofuran-7-amine is sourced from PubChem (CID 126560139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).