5-methyl-1-(naphthalen-1-ylmethyl)indole

C20H17N — CID 110831307

IUPAC5-methyl-1-(naphthalen-1-ylmethyl)indole
SMILESCc1ccc2c(ccn2Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H17N/c1-15-9-10-20-17(13-15)11-12-21(20)14-18-7-4-6-16-5-2-3-8-19(16)18/h2-13H,14H2,1H3
InChIKeyHYJHNYDNUJTUGH-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.15
Rot. Bonds2

About 5-methyl-1-(naphthalen-1-ylmethyl)indole

5-methyl-1-(naphthalen-1-ylmethyl)indole (PubChem CID 110831307) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methyl-1-(naphthalen-1-ylmethyl)indole.

Molecular Properties

Compound Name5-methyl-1-(naphthalen-1-ylmethyl)indole
PubChem CID110831307
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name5-methyl-1-(naphthalen-1-ylmethyl)indole
SMILESCc1ccc2c(ccn2Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H17N/c1-15-9-10-20-17(13-15)11-12-21(20)14-18-7-4-6-16-5-2-3-8-19(16)18/h2-13H,14H2,1H3
InChIKeyHYJHNYDNUJTUGH-UHFFFAOYSA-N
XLogP5.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(naphthalen-1-ylmethyl)indole?
The IUPAC name of 5-methyl-1-(naphthalen-1-ylmethyl)indole (CID 110831307) is 5-methyl-1-(naphthalen-1-ylmethyl)indole.
What is the SMILES notation for 5-methyl-1-(naphthalen-1-ylmethyl)indole?
The canonical SMILES for 5-methyl-1-(naphthalen-1-ylmethyl)indole is Cc1ccc2c(ccn2Cc2cccc3ccccc23)c1.
What is the InChIKey of 5-methyl-1-(naphthalen-1-ylmethyl)indole?
The InChIKey is HYJHNYDNUJTUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-15-9-10-20-17(13-15)11-12-21(20)14-18-7-4-6-16-5-2-3-8-19(16)18/h2-13H,14H2,1H3.
What are the key properties of 5-methyl-1-(naphthalen-1-ylmethyl)indole?
5-methyl-1-(naphthalen-1-ylmethyl)indole has a molecular weight of 271.36 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(naphthalen-1-ylmethyl)indole is sourced from PubChem (CID 110831307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).