(2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine

C14H20N2O — CID 168762064

IUPAC(2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])Oc1ccc2c(ccn2C([2H])([2H])[C@H](N(C)C([2H])([2H])[2H])C([2H])([2H])[2H])c1
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/i1D3,2D3,4D3,10D2
InChIKeyKHEUWLQKCXGVEL-DACBCMCTSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds7

About (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine

(2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine (PubChem CID 168762064) has the molecular formula C14H20N2O and a molecular weight of 243.39 g/mol. Its IUPAC name is (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
PubChem CID168762064
Molecular FormulaC14H20N2O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name(2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])Oc1ccc2c(ccn2C([2H])([2H])[C@H](N(C)C([2H])([2H])[2H])C([2H])([2H])[2H])c1
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/i1D3,2D3,4D3,10D2
InChIKeyKHEUWLQKCXGVEL-DACBCMCTSA-N
XLogP2.60
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
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)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
The IUPAC name of (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine (CID 168762064) is (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine.
What is the SMILES notation for (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
The canonical SMILES for (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine is [2H]C([2H])([2H])Oc1ccc2c(ccn2C([2H])([2H])[C@H](N(C)C([2H])([2H])[2H])C([2H])([2H])[2H])c1.
What is the InChIKey of (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
The InChIKey is KHEUWLQKCXGVEL-DACBCMCTSA-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/i1D3,2D3,4D3,10D2.
What are the key properties of (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine?
(2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine is sourced from PubChem (CID 168762064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).