2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine

C17H18N2O2 — CID 43327440

IUPAC2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-10-15(13-5-6-16-17(9-13)21-11-20-16)19-8-7-12-3-1-2-4-14(12)19/h1-6,9,15H,7-8,10-11,18H2
InChIKeyOFIIFOHAGBSDAJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.48
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine

2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine (PubChem CID 43327440) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine
PubChem CID43327440
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-10-15(13-5-6-16-17(9-13)21-11-20-16)19-8-7-12-3-1-2-4-14(12)19/h1-6,9,15H,7-8,10-11,18H2
InChIKeyOFIIFOHAGBSDAJ-UHFFFAOYSA-N
XLogP2.48
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061
2-(1,3-benzodioxol-5-yl)-2-pyrrol-1-ylethanamine
CID 82021304
2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
CID 16791029
2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 43180447
2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 106817234
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 16793669
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583728
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7178897
N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 22517432
2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine
CID 43173934
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1,3-benzodioxol-5-yl)ethanamine
CID 82752184

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine (CID 43327440) is 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine is NCC(c1ccc2c(c1)OCO2)N1CCc2ccccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is OFIIFOHAGBSDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-10-15(13-5-6-16-17(9-13)21-11-20-16)19-8-7-12-3-1-2-4-14(12)19/h1-6,9,15H,7-8,10-11,18H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine?
2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 282.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 43327440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).