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

C14H22N2O2 — CID 103180351

IUPAC1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCOCCCOCCN1CCc2ccc(N)cc21
InChIInChI=1S/C14H22N2O2/c1-17-8-2-9-18-10-7-16-6-5-12-3-4-13(15)11-14(12)16/h3-4,11H,2,5-10,15H2,1H3
InChIKeyQIDMCWMTGHGBCA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds7

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

1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine (PubChem CID 103180351) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
PubChem CID103180351
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESCOCCCOCCN1CCc2ccc(N)cc21
InChIInChI=1S/C14H22N2O2/c1-17-8-2-9-18-10-7-16-6-5-12-3-4-13(15)11-14(12)16/h3-4,11H,2,5-10,15H2,1H3
InChIKeyQIDMCWMTGHGBCA-UHFFFAOYSA-N
XLogP1.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
CID 43457237
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 89221880
1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39456546
6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one
CID 103183081
7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one
CID 103409761
1-[2-(2,3,6-trimethylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39415427
1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 88907206
1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39448729
1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine
CID 67236454
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39440870
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
CID 78984493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine (CID 103180351) is 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine is COCCCOCCN1CCc2ccc(N)cc21.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine?
The InChIKey is QIDMCWMTGHGBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-8-2-9-18-10-7-16-6-5-12-3-4-13(15)11-14(12)16/h3-4,11H,2,5-10,15H2,1H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine?
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine has a molecular weight of 250.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 103180351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).