1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine

C13H16F2N2O — CID 171588338

IUPAC1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILES[2H]C([2H])(c1c[nH]c2ccc(OC(F)F)cc12)C([2H])([2H])N(C)C
InChIInChI=1S/C13H16F2N2O/c1-17(2)6-5-9-8-16-12-4-3-10(7-11(9)12)18-13(14)15/h3-4,7-8,13,16H,5-6H2,1-2H3/i5D2,6D2
InChIKeyJHNWBHAEZZEIGE-NZLXMSDQSA-N
MW258.30 g/mol
LogP2.87
Rot. Bonds5

About 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine

1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 171588338) has the molecular formula C13H16F2N2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID171588338
Molecular FormulaC13H16F2N2O
Molecular Weight258.30 g/mol
Exact Mass258.15
IUPAC Name1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILES[2H]C([2H])(c1c[nH]c2ccc(OC(F)F)cc12)C([2H])([2H])N(C)C
InChIInChI=1S/C13H16F2N2O/c1-17(2)6-5-9-8-16-12-4-3-10(7-11(9)12)18-13(14)15/h3-4,7-8,13,16H,5-6H2,1-2H3/i5D2,6D2
InChIKeyJHNWBHAEZZEIGE-NZLXMSDQSA-N
XLogP2.87
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one
CID 114759282
N-propyl-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 25193914
ethyl 2-amino-2-[[5-(difluoromethoxy)-1H-indol-3-yl]methyl]butanoate
CID 90801911
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine
CID 176862192
1,1,2,2-tetradeuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine
CID 176862197
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2475782
(4S)-4,5,5-trideuterio-4-[dideuterio-[3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 59720075
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 176862230
3-cyclohexyl-5-(difluoromethoxy)-1H-indole
CID 106985011

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine (CID 171588338) is 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine is [2H]C([2H])(c1c[nH]c2ccc(OC(F)F)cc12)C([2H])([2H])N(C)C.
What is the InChIKey of 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is JHNWBHAEZZEIGE-NZLXMSDQSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17(2)6-5-9-8-16-12-4-3-10(7-11(9)12)18-13(14)15/h3-4,7-8,13,16H,5-6H2,1-2H3/i5D2,6D2.
What are the key properties of 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine?
1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 258.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-2-[5-(difluoromethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 171588338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).