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

C15H21N3O — CID 3037765

IUPACN,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
SMILESCN(C)CCO[C@H](c1ccccc1)c1ccnn1C
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/t15-/m1/s1
InChIKeyDCMJBKFKXGPPMT-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds6

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

N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine (PubChem CID 3037765) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
PubChem CID3037765
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
SMILESCN(C)CCO[C@H](c1ccccc1)c1ccnn1C
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/t15-/m1/s1
InChIKeyDCMJBKFKXGPPMT-OAHLLOKOSA-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 ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine (CID 3037765) is N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine is CN(C)CCO[C@H](c1ccccc1)c1ccnn1C.
What is the InChIKey of N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The InChIKey is DCMJBKFKXGPPMT-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine has a molecular weight of 259.35 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 N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine is sourced from PubChem (CID 3037765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).