2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine

C13H20N2O — CID 170972573

IUPAC2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine
SMILES[2H]C([2H])([2H])N(CCN1CCc2ccc(OC)cc21)C([2H])([2H])[2H]
InChIInChI=1S/C13H20N2O/c1-14(2)8-9-15-7-6-11-4-5-12(16-3)10-13(11)15/h4-5,10H,6-9H2,1-3H3/i1D3,2D3
InChIKeyGZHSUVIGFIPSHA-WFGJKAKNSA-N
MW226.35 g/mol
LogP1.62
Rot. Bonds6

About 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine

2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine (PubChem CID 170972573) has the molecular formula C13H20N2O and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine
PubChem CID170972573
Molecular FormulaC13H20N2O
Molecular Weight226.35 g/mol
Exact Mass226.20
IUPAC Name2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine
SMILES[2H]C([2H])([2H])N(CCN1CCc2ccc(OC)cc21)C([2H])([2H])[2H]
InChIInChI=1S/C13H20N2O/c1-14(2)8-9-15-7-6-11-4-5-12(16-3)10-13(11)15/h4-5,10H,6-9H2,1-3H3/i1D3,2D3
InChIKeyGZHSUVIGFIPSHA-WFGJKAKNSA-N
XLogP1.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1,2-dimethyl-3,4-dihydrocinnoline
CID 58095808
1-[2-(6-methoxy-2,3-dihydroindol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 91006895
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 86703343
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
CID 18914093
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
1-[2-(3,5-dimethoxyphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39456546
1-butan-2-yl-6-methoxy-2,3-dihydroindole
CID 134369277
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline
CID 59556813
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine?
The IUPAC name of 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine (CID 170972573) is 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine?
The canonical SMILES for 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine is [2H]C([2H])([2H])N(CCN1CCc2ccc(OC)cc21)C([2H])([2H])[2H].
What is the InChIKey of 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine?
The InChIKey is GZHSUVIGFIPSHA-WFGJKAKNSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14(2)8-9-15-7-6-11-4-5-12(16-3)10-13(11)15/h4-5,10H,6-9H2,1-3H3/i1D3,2D3.
What are the key properties of 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine?
2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine has a molecular weight of 226.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine is sourced from PubChem (CID 170972573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).