3-(methoxymethyl)-7-methyl-1-propan-2-ylindole

C14H19NO — CID 117186336

IUPAC3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
SMILESCOCc1cn(C(C)C)c2c(C)cccc12
InChIInChI=1S/C14H19NO/c1-10(2)15-8-12(9-16-4)13-7-5-6-11(3)14(13)15/h5-8,10H,9H2,1-4H3
InChIKeyXJZRACQKPAIJGI-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.68
Rot. Bonds3

About 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole

3-(methoxymethyl)-7-methyl-1-propan-2-ylindole (PubChem CID 117186336) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole.

Molecular Properties

Compound Name3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
PubChem CID117186336
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
SMILESCOCc1cn(C(C)C)c2c(C)cccc12
InChIInChI=1S/C14H19NO/c1-10(2)15-8-12(9-16-4)13-7-5-6-11(3)14(13)15/h5-8,10H,9H2,1-4H3
InChIKeyXJZRACQKPAIJGI-UHFFFAOYSA-N
XLogP3.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole
CID 117186293
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
7-bromo-3-(ethoxymethyl)-1-propan-2-ylindole
CID 117182588
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117182438
3-(methoxymethyl)-1-methylindole
CID 18711466
2-(7-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117197460
4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
CID 117172053
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole?
The IUPAC name of 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole (CID 117186336) is 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole.
What is the SMILES notation for 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole?
The canonical SMILES for 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole is COCc1cn(C(C)C)c2c(C)cccc12.
What is the InChIKey of 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole?
The InChIKey is XJZRACQKPAIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)15-8-12(9-16-4)13-7-5-6-11(3)14(13)15/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole?
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole has a molecular weight of 217.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-7-methyl-1-propan-2-ylindole is sourced from PubChem (CID 117186336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).