(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine

C14H20N2O — CID 168762111

IUPAC(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
SMILES[2H][C@@H]([C@@H](C)N(C)C)n1ccc2cc(OC)ccc21
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/i10D/t10-,11+/m0
InChIKeyKHEUWLQKCXGVEL-UUAQMXOKSA-N
MW233.33 g/mol
LogP2.60
Rot. Bonds4

About (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine

(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine (PubChem CID 168762111) has the molecular formula C14H20N2O and a molecular weight of 233.33 g/mol. Its IUPAC name is (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
PubChem CID168762111
Molecular FormulaC14H20N2O
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
SMILES[2H][C@@H]([C@@H](C)N(C)C)n1ccc2cc(OC)ccc21
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/i10D/t10-,11+/m0
InChIKeyKHEUWLQKCXGVEL-UUAQMXOKSA-N
XLogP2.60
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762038
(2R)-1,2-dideuterio-N-methyl-1-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
CID 168762068
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
(2R)-1,1,1,3,3-pentadeuterio-N-methyl-3-[5-(trideuteriomethoxy)indol-1-yl]-N-(trideuteriomethyl)propan-2-amine
CID 168762064
[1-[(2R)-2-(dimethylamino)propyl]indol-5-yl] hydrogen sulfate
CID 178146608
5-methoxy-1-(4-methylpentan-2-yl)indole
CID 102339927
CID 174065240
CID 174065240
1,1,1,3,3,3-hexadeuterio-N,N-dimethyl-2-[[5-(trideuteriomethoxy)indol-1-yl]methyl]propan-2-amine
CID 168762058
5-methoxy-1-prop-2-ynylindole
CID 45091362
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine (CID 168762111) is (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine is [2H][C@@H]([C@@H](C)N(C)C)n1ccc2cc(OC)ccc21.
What is the InChIKey of (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is KHEUWLQKCXGVEL-UUAQMXOKSA-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/i10D/t10-,11+/m0.
What are the key properties of (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine?
(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 233.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 168762111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).