5-Methoxy-2,3-dihydro-1H-indole

C₉H₁₁NOCAS 21857-45-4149.19 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₉H₁₁NO
Molar mass: 149.19 g/mol
Exact mass: 149.0841 Da
logP: 1.66Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21857-45-4

SMILES

COC1=CC2=C(C=C1)NCC2

InChIKey

YYDYAQAVAHKFJO-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5-Methoxy-2,3-dihydroindoline

Work with 5-Methoxy-2,3-dihydro-1H-indole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-083 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-357 % similar 5-Methylindoline65826-95-155 % similar 6-Methoxy-3,4-dihydro-1H-quinolin-2-one54197-64-754 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-053 % similar 5-Bromoindoline22190-33-650 % similar 5-Fluoroindoline2343-22-850 % similar 5-Chloroindoline25658-80-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

para-Dimethylaminobenzaldehyde100-10-7 4-Methylacetanilide103-89-9 1-(3-Aminophenyl)-1-propanone1197-05-3 N-(2-Methylphenyl)acetamide120-66-1 (1S,2R)-(-)-1-Amino-2-indanol126456-43-7 (+)-cis-1-Amino-2-indanol136030-00-7 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3 (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2

Elsewhere

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