N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine

C15H24N2O — CID 62573733

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCN1CCc2ccccc21
InChIInChI=1S/C15H24N2O/c1-2-18-13-5-9-16-10-12-17-11-8-14-6-3-4-7-15(14)17/h3-4,6-7,16H,2,5,8-13H2,1H3
InChIKeyRQAUZRWBXXBQJX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.07
Rot. Bonds8

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine

N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 62573733) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
PubChem CID62573733
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCN1CCc2ccccc21
InChIInChI=1S/C15H24N2O/c1-2-18-13-5-9-16-10-12-17-11-8-14-6-3-4-7-15(14)17/h3-4,6-7,16H,2,5,8-13H2,1H3
InChIKeyRQAUZRWBXXBQJX-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
1-butyl-2,3-dihydroindole
CID 4167209
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55085162
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate
CID 50964250
2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
CID 81412714

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine (CID 62573733) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNCCN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is RQAUZRWBXXBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-13-5-9-16-10-12-17-11-8-14-6-3-4-7-15(14)17/h3-4,6-7,16H,2,5,8-13H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 62573733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).