2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine

C18H23NO — CID 46219130

IUPAC2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine
SMILES[2H]C([2H])(CN(C)C)OC([2H])(c1ccccc1)c1ccccc1C([2H])([2H])[2H]
InChIInChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3/i1D3,14D2,18D
InChIKeyQVYRGXJJSLMXQH-GIOQPKPNSA-N
MW275.42 g/mol
LogP3.66
Rot. Bonds7

About 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine

2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine (PubChem CID 46219130) has the molecular formula C18H23NO and a molecular weight of 275.42 g/mol. Its IUPAC name is 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine
PubChem CID46219130
Molecular FormulaC18H23NO
Molecular Weight275.42 g/mol
Exact Mass275.22
IUPAC Name2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine
SMILES[2H]C([2H])(CN(C)C)OC([2H])(c1ccccc1)c1ccccc1C([2H])([2H])[2H]
InChIInChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3/i1D3,14D2,18D
InChIKeyQVYRGXJJSLMXQH-GIOQPKPNSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dideuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2,2-dideuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;1,1-dideuterio-N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;2,2-dideuterio-N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;1,1-dideuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;2,2-dideuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-bis(trideuteriomethyl)ethanamine;1,1,2,2-tetradeuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;1,1,2,2-tetradeuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine
CID 159294265
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine
CID 12660399
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
1,1-dideuterio-2-[phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]methoxy]-N,N-bis(trideuteriomethyl)ethanamine
CID 46218875
2-[1,2-bis(2-methylphenyl)ethoxy]-N,N-dimethylethanamine
CID 102170442
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
2-benzhydrylsulfanyl-N,N-dimethylethanamine
CID 3028320
2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
CID 67474795
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine (CID 46219130) is 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine is [2H]C([2H])(CN(C)C)OC([2H])(c1ccccc1)c1ccccc1C([2H])([2H])[2H].
What is the InChIKey of 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine?
The InChIKey is QVYRGXJJSLMXQH-GIOQPKPNSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3/i1D3,14D2,18D.
What are the key properties of 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine?
2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-2-[deuterio-phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 46219130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).