1-[2-(4-methoxyphenyl)ethyl]-2-methylindole

C18H19NO — CID 65444625

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
SMILESCOc1ccc(CCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C18H19NO/c1-14-13-16-5-3-4-6-18(16)19(14)12-11-15-7-9-17(20-2)10-8-15/h3-10,13H,11-12H2,1-2H3
InChIKeyTYMQBYLMWLPWMS-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.20
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole

1-[2-(4-methoxyphenyl)ethyl]-2-methylindole (PubChem CID 65444625) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
PubChem CID65444625
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
SMILESCOc1ccc(CCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C18H19NO/c1-14-13-16-5-3-4-6-18(16)19(14)12-11-15-7-9-17(20-2)10-8-15/h3-10,13H,11-12H2,1-2H3
InChIKeyTYMQBYLMWLPWMS-UHFFFAOYSA-N
XLogP4.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-1-tetradecylindole
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1-(4-bromobutyl)-2-methylindole
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2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-3,6-dimethoxycarbazole
CID 146522505
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1H-imidazole-2-thione
CID 81338069
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858
6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
CID 142653865
N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine
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2-methyl-1-(2-pyrazol-1-ylethyl)indole
CID 63810804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole (CID 65444625) is 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole is COc1ccc(CCn2c(C)cc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole?
The InChIKey is TYMQBYLMWLPWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-13-16-5-3-4-6-18(16)19(14)12-11-15-7-9-17(20-2)10-8-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole?
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole has a molecular weight of 265.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-methylindole is sourced from PubChem (CID 65444625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).