3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole

C21H21N — CID 101421826

IUPAC3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole
SMILESCn1cc(CCC2=CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H21N/c1-22-15-18(20-11-4-5-12-21(20)22)14-13-17-9-6-8-16-7-2-3-10-19(16)17/h2-5,7,9-12,15H,6,8,13-14H2,1H3
InChIKeyYUWPVFQTYBKLIA-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.14
Rot. Bonds3

About 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole

3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole (PubChem CID 101421826) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole.

Molecular Properties

Compound Name3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole
PubChem CID101421826
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole
SMILESCn1cc(CCC2=CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H21N/c1-22-15-18(20-11-4-5-12-21(20)22)14-13-17-9-6-8-16-7-2-3-10-19(16)17/h2-5,7,9-12,15H,6,8,13-14H2,1H3
InChIKeyYUWPVFQTYBKLIA-UHFFFAOYSA-N
XLogP5.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromoethyl)-1-methylindole
CID 13153306
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
3-decyl-1-methylindole
CID 10802084
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
1-methyl-3-[2-[1-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]ethyl]indole
CID 3849206
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
N-(hydrazinylmethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115261290
N-(methoxymethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115259030

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole?
The IUPAC name of 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole (CID 101421826) is 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole.
What is the SMILES notation for 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole?
The canonical SMILES for 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole is Cn1cc(CCC2=CCCc3ccccc32)c2ccccc21.
What is the InChIKey of 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole?
The InChIKey is YUWPVFQTYBKLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-22-15-18(20-11-4-5-12-21(20)22)14-13-17-9-6-8-16-7-2-3-10-19(16)17/h2-5,7,9-12,15H,6,8,13-14H2,1H3.
What are the key properties of 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole?
3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole has a molecular weight of 287.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydronaphthalen-1-yl)ethyl]-1-methylindole is sourced from PubChem (CID 101421826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).