2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine

C16H24N2O — CID 104745923

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CN1Cc2ccccc2C1)C1CCOC1
InChIInChI=1S/C16H24N2O/c1-2-17-16(15-7-8-19-12-15)11-18-9-13-5-3-4-6-14(13)10-18/h3-6,15-17H,2,7-12H2,1H3
InChIKeySTCQRNIIMDIVLG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.02
Rot. Bonds5

About 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104745923) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID104745923
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CN1Cc2ccccc2C1)C1CCOC1
InChIInChI=1S/C16H24N2O/c1-2-17-16(15-7-8-19-12-15)11-18-9-13-5-3-4-6-14(13)10-18/h3-6,15-17H,2,7-12H2,1H3
InChIKeySTCQRNIIMDIVLG-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine 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

N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine
CID 104746584
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 104747148
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747178
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]quinolin-2-one
CID 104747727
2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113448329
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one
CID 104747156
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747837
N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745096
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104746111
N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine
CID 65403978

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 104745923) is 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(CN1Cc2ccccc2C1)C1CCOC1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is STCQRNIIMDIVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-17-16(15-7-8-19-12-15)11-18-9-13-5-3-4-6-14(13)10-18/h3-6,15-17H,2,7-12H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104745923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).