1-methyl-6-(2-phenylbutan-2-yl)indole

C19H21N — CID 174566819

IUPAC1-methyl-6-(2-phenylbutan-2-yl)indole
SMILESCCC(C)(c1ccccc1)c1ccc2ccn(C)c2c1
InChIInChI=1S/C19H21N/c1-4-19(2,16-8-6-5-7-9-16)17-11-10-15-12-13-20(3)18(15)14-17/h5-14H,4H2,1-3H3
InChIKeyIBSMABFIIQHPCX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.89
Rot. Bonds3

About 1-methyl-6-(2-phenylbutan-2-yl)indole

1-methyl-6-(2-phenylbutan-2-yl)indole (PubChem CID 174566819) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-methyl-6-(2-phenylbutan-2-yl)indole.

Molecular Properties

Compound Name1-methyl-6-(2-phenylbutan-2-yl)indole
PubChem CID174566819
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-methyl-6-(2-phenylbutan-2-yl)indole
SMILESCCC(C)(c1ccccc1)c1ccc2ccn(C)c2c1
InChIInChI=1S/C19H21N/c1-4-19(2,16-8-6-5-7-9-16)17-11-10-15-12-13-20(3)18(15)14-17/h5-14H,4H2,1-3H3
InChIKeyIBSMABFIIQHPCX-UHFFFAOYSA-N
XLogP4.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-phenylbutan-2-yl)indole?
The IUPAC name of 1-methyl-6-(2-phenylbutan-2-yl)indole (CID 174566819) is 1-methyl-6-(2-phenylbutan-2-yl)indole.
What is the SMILES notation for 1-methyl-6-(2-phenylbutan-2-yl)indole?
The canonical SMILES for 1-methyl-6-(2-phenylbutan-2-yl)indole is CCC(C)(c1ccccc1)c1ccc2ccn(C)c2c1.
What is the InChIKey of 1-methyl-6-(2-phenylbutan-2-yl)indole?
The InChIKey is IBSMABFIIQHPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-4-19(2,16-8-6-5-7-9-16)17-11-10-15-12-13-20(3)18(15)14-17/h5-14H,4H2,1-3H3.
What are the key properties of 1-methyl-6-(2-phenylbutan-2-yl)indole?
1-methyl-6-(2-phenylbutan-2-yl)indole has a molecular weight of 263.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-phenylbutan-2-yl)indole is sourced from PubChem (CID 174566819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).