1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine

C12H18N2O — CID 43457237

IUPAC1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
SMILESCCOCCN1CCc2ccc(N)cc21
InChIInChI=1S/C12H18N2O/c1-2-15-8-7-14-6-5-10-3-4-11(13)9-12(10)14/h3-4,9H,2,5-8,13H2,1H3
InChIKeyHNHXQXGDLZSDPS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine

1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine (PubChem CID 43457237) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
PubChem CID43457237
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
SMILESCCOCCN1CCc2ccc(N)cc21
InChIInChI=1S/C12H18N2O/c1-2-15-8-7-14-6-5-10-3-4-11(13)9-12(10)14/h3-4,9H,2,5-8,13H2,1H3
InChIKeyHNHXQXGDLZSDPS-UHFFFAOYSA-N
XLogP1.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Indolin-6-ylamine hydrochloride
CID 34184
1-Acetyl-6-aminoindoline
CID 258564
3-(2,3-dihydro-1H-indol-1-yl)propan-1-amine
CID 6483816
1-methyl-2,3-dihydro-1H-indol-6-amine
CID 12369048
N-(1-acetylindolin-6-yl)acetamide
CID 14918535
Indolin-6-amine
CID 34185
1-(2-Methoxyethyl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 39241439
1-(4-(Morpholin-4-yl)phenyl)ethan-1-amine
CID 4912810
4-Methyl-3-(pyrrolidin-1-yl)aniline
CID 17604049
1-Ethyl-2,3-dihydro-1H-indol-6-amine
CID 18459493
tert-Butyl 6-amino-2,3-dihydro-1H-indole-1-carboxylate
CID 21936857
4-Methyl-3-(4-morpholinyl)benzenamine
CID 21954997

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine (CID 43457237) is 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine is CCOCCN1CCc2ccc(N)cc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine?
The InChIKey is HNHXQXGDLZSDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-8-7-14-6-5-10-3-4-11(13)9-12(10)14/h3-4,9H,2,5-8,13H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine?
1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine has a molecular weight of 206.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 43457237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).