(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine

C14H20N2O — CID 168762068

IUPAC(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C(n1ccc2cc(OC([2H])([2H])[2H])ccc21)[C@@]([2H])(C)N(C)C([2H])([2H])[2H]
InChIInChI=1S/C14H20N2O/c1-11(15(2)3)10-16-8-7-12-9-13(17-4)5-6-14(12)16/h5-9,11H,10H2,1-4H3/t11-/m1/s1/i2D3,4D3,10D,11D/t10?,11-
InChIKeyKHEUWLQKCXGVEL-NBFNHOMOSA-N
MW240.38 g/mol
LogP2.60
Rot. Bonds6

About (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine

(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine (PubChem CID 168762068) has the molecular formula C14H20N2O and a molecular weight of 240.38 g/mol. Its IUPAC name is (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
PubChem CID168762068
Molecular FormulaC14H20N2O
Molecular Weight240.38 g/mol
Exact Mass240.21
IUPAC Name(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C(n1ccc2cc(OC([2H])([2H])[2H])ccc21)[C@@]([2H])(C)N(C)C([2H])([2H])[2H]
InChIInChI=1S/C14H20N2O/c1-11(15(2)3)10-16-8-7-12-9-13(17-4)5-6-14(12)16/h5-9,11H,10H2,1-4H3/t11-/m1/s1/i2D3,4D3,10D,11D/t10?,11-
InChIKeyKHEUWLQKCXGVEL-NBFNHOMOSA-N
XLogP2.60
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
The IUPAC name of (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine (CID 168762068) is (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine.
What is the SMILES notation for (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
The canonical SMILES for (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine is [2H]C(n1ccc2cc(OC([2H])([2H])[2H])ccc21)[C@@]([2H])(C)N(C)C([2H])([2H])[2H].
What is the InChIKey of (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
The InChIKey is KHEUWLQKCXGVEL-NBFNHOMOSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(15(2)3)10-16-8-7-12-9-13(17-4)5-6-14(12)16/h5-9,11H,10H2,1-4H3/t11-/m1/s1/i2D3,4D3,10D,11D/t10?,11-.
What are the key properties of (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine has a molecular weight of 240.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine is sourced from PubChem (CID 168762068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).