1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine

C19H22N2O — CID 164621659

IUPAC1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine
SMILES[2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])c1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H22N2O/c1-21(2)12-11-16-13-20-17-9-6-10-18(19(16)17)22-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3/i1D3,2D3,11D2,12D2
InChIKeyLHERKDDDEMCCCU-OIRTUCIKSA-N
MW304.46 g/mol
LogP3.85
Rot. Bonds8

About 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine

1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine (PubChem CID 164621659) has the molecular formula C19H22N2O and a molecular weight of 304.46 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine
PubChem CID164621659
Molecular FormulaC19H22N2O
Molecular Weight304.46 g/mol
Exact Mass304.24
IUPAC Name1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine
SMILES[2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])c1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H22N2O/c1-21(2)12-11-16-13-20-17-9-6-10-18(19(16)17)22-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3/i1D3,2D3,11D2,12D2
InChIKeyLHERKDDDEMCCCU-OIRTUCIKSA-N
XLogP3.85
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine?
The IUPAC name of 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine (CID 164621659) is 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine.
What is the SMILES notation for 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine?
The canonical SMILES for 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine is [2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])c1c[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine?
The InChIKey is LHERKDDDEMCCCU-OIRTUCIKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(2)12-11-16-13-20-17-9-6-10-18(19(16)17)22-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3/i1D3,2D3,11D2,12D2.
What are the key properties of 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine?
1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine is sourced from PubChem (CID 164621659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).