1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine

C15H22N2O — CID 168762058

IUPAC1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine
SMILES[2H]C([2H])([2H])Oc1ccc2c(ccn2CC(N(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H])c1
InChIInChI=1S/C15H22N2O/c1-15(2,16(3)4)11-17-9-8-12-10-13(18-5)6-7-14(12)17/h6-10H,11H2,1-5H3/i1D3,2D3,5D3
InChIKeyQNFITDXQBBUHKP-VQVNNDEWSA-N
MW255.41 g/mol
LogP2.99
Rot. Bonds7

About 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine

1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine (PubChem CID 168762058) has the molecular formula C15H22N2O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine
PubChem CID168762058
Molecular FormulaC15H22N2O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine
SMILES[2H]C([2H])([2H])Oc1ccc2c(ccn2CC(N(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H])c1
InChIInChI=1S/C15H22N2O/c1-15(2,16(3)4)11-17-9-8-12-10-13(18-5)6-7-14(12)17/h6-10H,11H2,1-5H3/i1D3,2D3,5D3
InChIKeyQNFITDXQBBUHKP-VQVNNDEWSA-N
XLogP2.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine?
The IUPAC name of 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine (CID 168762058) is 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine.
What is the SMILES notation for 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine?
The canonical SMILES for 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine is [2H]C([2H])([2H])Oc1ccc2c(ccn2CC(N(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H])c1.
What is the InChIKey of 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine?
The InChIKey is QNFITDXQBBUHKP-VQVNNDEWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,16(3)4)11-17-9-8-12-10-13(18-5)6-7-14(12)17/h6-10H,11H2,1-5H3/i1D3,2D3,5D3.
What are the key properties of 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine?
1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine has a molecular weight of 255.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 168762058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).