1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine

C15H21N3O — CID 59575915

IUPAC1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
SMILES[2H]C([2H])(COC(c1ccccc1)c1ccnn1C)N(C)C
InChIInChI=1S/C15H21N3O/c1-17(2)11-12-19-15(13-7-5-4-6-8-13)14-9-10-16-18(14)3/h4-10,15H,11-12H2,1-3H3/i11D2
InChIKeyDCMJBKFKXGPPMT-ZWGOZCLVSA-N
MW261.37 g/mol
LogP2.09
Rot. Bonds6

About 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine

1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine (PubChem CID 59575915) has the molecular formula C15H21N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine.

Molecular Properties

Compound Name1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
PubChem CID59575915
Molecular FormulaC15H21N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
SMILES[2H]C([2H])(COC(c1ccccc1)c1ccnn1C)N(C)C
InChIInChI=1S/C15H21N3O/c1-17(2)11-12-19-15(13-7-5-4-6-8-13)14-9-10-16-18(14)3/h4-10,15H,11-12H2,1-3H3/i11D2
InChIKeyDCMJBKFKXGPPMT-ZWGOZCLVSA-N
XLogP2.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
CID 69346238
1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole
CID 11514934
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 121429591
N,N-dimethyl-2-[[1-methyl-2-methylidene-3-[[methyl-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]amino]methyl]-3H-pyrazol-2-ium-5-yl]-phenylmethoxy]ethanamine
CID 91185010
1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine
CID 11595069
[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
CID 99858572
[(S)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
CID 99858571
2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine
CID 11687687
N-benzyl-N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
CID 121429630
2-[deuterio-(2-methylpyrazol-3-yl)-(2,3,4,5,6-pentadeuteriophenyl)methoxy]-N-methyl-N-(trideuteriomethyl)ethanamine
CID 89003937
1,1-dideuterio-2-[phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]methoxy]-N,N-bis(trideuteriomethyl)ethanamine
CID 46218875
2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol
CID 121417893

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The IUPAC name of 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine (CID 59575915) is 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine.
What is the SMILES notation for 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The canonical SMILES for 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine is [2H]C([2H])(COC(c1ccccc1)c1ccnn1C)N(C)C.
What is the InChIKey of 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The InChIKey is DCMJBKFKXGPPMT-ZWGOZCLVSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17(2)11-12-19-15(13-7-5-4-6-8-13)14-9-10-16-18(14)3/h4-10,15H,11-12H2,1-3H3/i11D2.
What are the key properties of 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine is sourced from PubChem (CID 59575915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).