2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine

C20H22N2O2 — CID 166398262

IUPAC2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(-c3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C20H22N2O2/c1-21(2)9-10-22-8-7-15-3-4-16(13-18(15)22)17-5-6-19-20(14-17)24-12-11-23-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeySQCFOUZDOIPMPN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.64
Rot. Bonds4

About 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine

2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine (PubChem CID 166398262) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine
PubChem CID166398262
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(-c3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C20H22N2O2/c1-21(2)9-10-22-8-7-15-3-4-16(13-18(15)22)17-5-6-19-20(14-17)24-12-11-23-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeySQCFOUZDOIPMPN-UHFFFAOYSA-N
XLogP3.64
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine
CID 15549970
2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine
CID 18007543
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
CID 90244443
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
(E)-but-2-enedioic acid;N,N-dimethyl-2-(6-nitroindol-1-yl)ethanamine
CID 166791736
N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine
CID 18007545
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800919
CID 175926008
CID 175926008
6-(4-methoxyphenyl)-1-propylindole
CID 91452134

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine (CID 166398262) is 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccc2ccc(-c3ccc4c(c3)OCCO4)cc21.
What is the InChIKey of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine?
The InChIKey is SQCFOUZDOIPMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21(2)9-10-22-8-7-15-3-4-16(13-18(15)22)17-5-6-19-20(14-17)24-12-11-23-19/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine?
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine has a molecular weight of 322.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 166398262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).