(1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine

C19H21NO2 — CID 69207213

IUPAC(1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCN(C)[C@@H]1C[C@@H](c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-3-20(2)17-11-16(14-6-4-5-7-15(14)17)13-8-9-18-19(10-13)22-12-21-18/h4-10,16-17H,3,11-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyDKUHNBODNFGGHX-DLBZAZTESA-N
MW295.38 g/mol
LogP3.94
Rot. Bonds3

About (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine

(1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 69207213) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID69207213
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCN(C)[C@@H]1C[C@@H](c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-3-20(2)17-11-16(14-6-4-5-7-15(14)17)13-8-9-18-19(10-13)22-12-21-18/h4-10,16-17H,3,11-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyDKUHNBODNFGGHX-DLBZAZTESA-N
XLogP3.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S,3R)-3-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-benzodioxole
CID 129392555
[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
CID 69207176
(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 69206313
(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
CID 10171662
N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
CID 21760
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
(3S,4R)-3-(1,3-benzodioxol-5-yl)-2-ethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 11256278
5-[(3R,6R)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
CID 101066122
[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 62709080
3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 69207213) is (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine is CCN(C)[C@@H]1C[C@@H](c2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DKUHNBODNFGGHX-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-20(2)17-11-16(14-6-4-5-7-15(14)17)13-8-9-18-19(10-13)22-12-21-18/h4-10,16-17H,3,11-12H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 295.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 69207213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).