3-[(2-ethylphenyl)methyl]-1-methylindole

C18H19N — CID 162400454

IUPAC3-[(2-ethylphenyl)methyl]-1-methylindole
SMILESCCc1ccccc1Cc1cn(C)c2ccccc12
InChIInChI=1S/C18H19N/c1-3-14-8-4-5-9-15(14)12-16-13-19(2)18-11-7-6-10-17(16)18/h4-11,13H,3,12H2,1-2H3
InChIKeyASKIOLXDCXYSSP-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.33
Rot. Bonds3

About 3-[(2-ethylphenyl)methyl]-1-methylindole

3-[(2-ethylphenyl)methyl]-1-methylindole (PubChem CID 162400454) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methyl]-1-methylindole.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methyl]-1-methylindole
PubChem CID162400454
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name3-[(2-ethylphenyl)methyl]-1-methylindole
SMILESCCc1ccccc1Cc1cn(C)c2ccccc12
InChIInChI=1S/C18H19N/c1-3-14-8-4-5-9-15(14)12-16-13-19(2)18-11-7-6-10-17(16)18/h4-11,13H,3,12H2,1-2H3
InChIKeyASKIOLXDCXYSSP-UHFFFAOYSA-N
XLogP4.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
3-(methoxymethyl)-1-methylindole
CID 18711466
3-(2-bromoethyl)-1-methylindole
CID 13153306
4-[(1-methylindol-3-yl)methyl]-1,3-dihydrobenzimidazole-2-thione
CID 69458449
methanamine;2-(1-methylindol-3-yl)acetaldehyde
CID 145482195
3-decyl-1-methylindole
CID 10802084
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
3-benzyl-1-methylquinolin-4-one
CID 10988673
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
1,2-diethylbenzene;hydrobromide
CID 174973685

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methyl]-1-methylindole?
The IUPAC name of 3-[(2-ethylphenyl)methyl]-1-methylindole (CID 162400454) is 3-[(2-ethylphenyl)methyl]-1-methylindole.
What is the SMILES notation for 3-[(2-ethylphenyl)methyl]-1-methylindole?
The canonical SMILES for 3-[(2-ethylphenyl)methyl]-1-methylindole is CCc1ccccc1Cc1cn(C)c2ccccc12.
What is the InChIKey of 3-[(2-ethylphenyl)methyl]-1-methylindole?
The InChIKey is ASKIOLXDCXYSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-14-8-4-5-9-15(14)12-16-13-19(2)18-11-7-6-10-17(16)18/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 3-[(2-ethylphenyl)methyl]-1-methylindole?
3-[(2-ethylphenyl)methyl]-1-methylindole has a molecular weight of 249.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methyl]-1-methylindole is sourced from PubChem (CID 162400454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).