(2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine

C15H20N2O — CID 168762062

IUPAC(2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine
SMILES[2H]C([2H])([C@@H](C)N(C)C)n1ccc2c3c(ccc21)OCC3
InChIInChI=1S/C15H20N2O/c1-11(16(2)3)10-17-8-6-12-13-7-9-18-15(13)5-4-14(12)17/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m1/s1/i10D2
InChIKeyUBKONVJKUGININ-PAQTWFAGSA-N
MW246.35 g/mol
LogP2.53
Rot. Bonds3

About (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine

(2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine (PubChem CID 168762062) has the molecular formula C15H20N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine
PubChem CID168762062
Molecular FormulaC15H20N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine
SMILES[2H]C([2H])([C@@H](C)N(C)C)n1ccc2c3c(ccc21)OCC3
InChIInChI=1S/C15H20N2O/c1-11(16(2)3)10-17-8-6-12-13-7-9-18-15(13)5-4-14(12)17/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m1/s1/i10D2
InChIKeyUBKONVJKUGININ-PAQTWFAGSA-N
XLogP2.53
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine (CID 168762062) is (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine is [2H]C([2H])([C@@H](C)N(C)C)n1ccc2c3c(ccc21)OCC3.
What is the InChIKey of (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is UBKONVJKUGININ-PAQTWFAGSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(16(2)3)10-17-8-6-12-13-7-9-18-15(13)5-4-14(12)17/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m1/s1/i10D2.
What are the key properties of (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine?
(2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 168762062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).