1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine

C18H22N2O3 — CID 39456546

IUPAC1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCOc1cc(OC)cc(OCCN2CCc3ccc(N)cc32)c1
InChIInChI=1S/C18H22N2O3/c1-21-15-10-16(22-2)12-17(11-15)23-8-7-20-6-5-13-3-4-14(19)9-18(13)20/h3-4,9-12H,5-8,19H2,1-2H3
InChIKeyYUIVDXKEHDGYRI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.73
Rot. Bonds6

About 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine

1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine (PubChem CID 39456546) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine
PubChem CID39456546
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCOc1cc(OC)cc(OCCN2CCc3ccc(N)cc32)c1
InChIInChI=1S/C18H22N2O3/c1-21-15-10-16(22-2)12-17(11-15)23-8-7-20-6-5-13-3-4-14(19)9-18(13)20/h3-4,9-12H,5-8,19H2,1-2H3
InChIKeyYUIVDXKEHDGYRI-UHFFFAOYSA-N
XLogP2.73
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39448729
1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
CID 43457237
1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39415427
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
CID 103180351
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39440870
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 89221880
1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 88907206
5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
CID 83212872
1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 54961512
1-[2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]-2,3-dihydroindol-6-amine;chloride;hydrochloride
CID 67416859
2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine
CID 170972573
1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine
CID 67236454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine (CID 39456546) is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine is COc1cc(OC)cc(OCCN2CCc3ccc(N)cc32)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine?
The InChIKey is YUIVDXKEHDGYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-21-15-10-16(22-2)12-17(11-15)23-8-7-20-6-5-13-3-4-14(19)9-18(13)20/h3-4,9-12H,5-8,19H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine?
1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine has a molecular weight of 314.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 39456546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).