2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole

C20H21N — CID 146532616

IUPAC2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole
SMILESCC(C)=Cc1c(C)n(-c2cccc(C)c2)c2ccccc12
InChIInChI=1S/C20H21N/c1-14(2)12-19-16(4)21(17-9-7-8-15(3)13-17)20-11-6-5-10-18(19)20/h5-13H,1-4H3
InChIKeyQXESRDKJSCYUQL-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.67
Rot. Bonds2

About 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole

2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole (PubChem CID 146532616) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole
PubChem CID146532616
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole
SMILESCC(C)=Cc1c(C)n(-c2cccc(C)c2)c2ccccc12
InChIInChI=1S/C20H21N/c1-14(2)12-19-16(4)21(17-9-7-8-15(3)13-17)20-11-6-5-10-18(19)20/h5-13H,1-4H3
InChIKeyQXESRDKJSCYUQL-UHFFFAOYSA-N
XLogP5.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
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1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
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9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine
CID 148860377
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
2-(2-methylphenyl)-9-(3-methylphenyl)carbazole
CID 170942462
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole
CID 144976611
2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine
CID 143516134
6-methyl-2-(2-methylprop-1-enyl)-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 138599042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole?
The IUPAC name of 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole (CID 146532616) is 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole is CC(C)=Cc1c(C)n(-c2cccc(C)c2)c2ccccc12.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole?
The InChIKey is QXESRDKJSCYUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14(2)12-19-16(4)21(17-9-7-8-15(3)13-17)20-11-6-5-10-18(19)20/h5-13H,1-4H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole?
2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole has a molecular weight of 275.40 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole is sourced from PubChem (CID 146532616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).