(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole

C11H15NO — CID 58765416

IUPAC(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
SMILESCOC[C@@H]1Cc2ccccc2N1C
InChIInChI=1S/C11H15NO/c1-12-10(8-13-2)7-9-5-3-4-6-11(9)12/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFHSCYRRYTANWSW-JTQLQIEISA-N
MW177.25 g/mol
LogP1.69
Rot. Bonds2

About (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole

(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole (PubChem CID 58765416) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
PubChem CID58765416
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
SMILESCOC[C@@H]1Cc2ccccc2N1C
InChIInChI=1S/C11H15NO/c1-12-10(8-13-2)7-9-5-3-4-6-11(9)12/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFHSCYRRYTANWSW-JTQLQIEISA-N
XLogP1.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
CID 58740920
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 70126556
(2R)-2-ethyl-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-4-phenylbut-3-yn-1-one
CID 101118128
(2S)-2-hydroxy-3-methoxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylpenta-3,4-dien-1-one
CID 134981822
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol
CID 68984738
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
N,N-dimethyl-1-[(2R)-1-methyl-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 125488883
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole?
The IUPAC name of (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole (CID 58765416) is (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole is COC[C@@H]1Cc2ccccc2N1C.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole?
The InChIKey is FHSCYRRYTANWSW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO/c1-12-10(8-13-2)7-9-5-3-4-6-11(9)12/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole?
(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole has a molecular weight of 177.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 58765416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).