1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole

C20H21NO — CID 21196199

IUPAC1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole
SMILESCn1c(COc2ccc3c(c2)CCCC3)cc2ccccc21
InChIInChI=1S/C20H21NO/c1-21-18(12-17-8-4-5-9-20(17)21)14-22-19-11-10-15-6-2-3-7-16(15)13-19/h4-5,8-13H,2-3,6-7,14H2,1H3
InChIKeyZQCQMQZYIAHRKX-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.64
Rot. Bonds3

About 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole

1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole (PubChem CID 21196199) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole.

Molecular Properties

Compound Name1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole
PubChem CID21196199
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole
SMILESCn1c(COc2ccc3c(c2)CCCC3)cc2ccccc21
InChIInChI=1S/C20H21NO/c1-21-18(12-17-8-4-5-9-20(17)21)14-22-19-11-10-15-6-2-3-7-16(15)13-19/h4-5,8-13H,2-3,6-7,14H2,1H3
InChIKeyZQCQMQZYIAHRKX-UHFFFAOYSA-N
XLogP4.64
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22359682
5-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60644006
1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole
CID 117185960
2-(bromomethyl)-1-methylindole
CID 58970525
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
CID 934444
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
1-methyl-2-propylindole
CID 13170349
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
CID 82085161
6-[[3-(cyclobutadienyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxymethyl]-1-methylquinolin-2-one
CID 68511917
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
1-[6-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-pyridinyl]-N-methylmethanamine
CID 106908170

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole?
The IUPAC name of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole (CID 21196199) is 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole.
What is the SMILES notation for 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole?
The canonical SMILES for 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole is Cn1c(COc2ccc3c(c2)CCCC3)cc2ccccc21.
What is the InChIKey of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole?
The InChIKey is ZQCQMQZYIAHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-21-18(12-17-8-4-5-9-20(17)21)14-22-19-11-10-15-6-2-3-7-16(15)13-19/h4-5,8-13H,2-3,6-7,14H2,1H3.
What are the key properties of 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole?
1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole has a molecular weight of 291.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)indole is sourced from PubChem (CID 21196199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).