1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole

C16H16N2O — CID 117186248

IUPAC1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
SMILESCc1cccc2c(COc3cccnc3)cn(C)c12
InChIInChI=1S/C16H16N2O/c1-12-5-3-7-15-13(10-18(2)16(12)15)11-19-14-6-4-8-17-9-14/h3-10H,11H2,1-2H3
InChIKeyJXTWKLILOZZXMT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.46
Rot. Bonds3

About 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole

1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole (PubChem CID 117186248) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole.

Molecular Properties

Compound Name1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
PubChem CID117186248
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
SMILESCc1cccc2c(COc3cccnc3)cn(C)c12
InChIInChI=1S/C16H16N2O/c1-12-5-3-7-15-13(10-18(2)16(12)15)11-19-14-6-4-8-17-9-14/h3-10H,11H2,1-2H3
InChIKeyJXTWKLILOZZXMT-UHFFFAOYSA-N
XLogP3.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188
1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
CID 117178708
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
CID 117186319
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
CID 117175660
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
3-[(2,4,6-trimethylphenyl)methoxy]pyridine
CID 112558779
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117181993
1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
CID 117185122
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole?
The IUPAC name of 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole (CID 117186248) is 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole.
What is the SMILES notation for 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole?
The canonical SMILES for 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole is Cc1cccc2c(COc3cccnc3)cn(C)c12.
What is the InChIKey of 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole?
The InChIKey is JXTWKLILOZZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-5-3-7-15-13(10-18(2)16(12)15)11-19-14-6-4-8-17-9-14/h3-10H,11H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole?
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole has a molecular weight of 252.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole is sourced from PubChem (CID 117186248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).