2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine

C18H25N3O2 — CID 50954213

IUPAC2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESC=C(C)COc1cccc(CNC(COC)c2ccnn2C)c1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-23-16-7-5-6-15(10-16)11-19-17(13-22-4)18-8-9-20-21(18)3/h5-10,17,19H,1,11-13H2,2-4H3
InChIKeyPRXRJWXXHKFQSZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.85
Rot. Bonds9

About 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine

2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 50954213) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID50954213
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESC=C(C)COc1cccc(CNC(COC)c2ccnn2C)c1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-23-16-7-5-6-15(10-16)11-19-17(13-22-4)18-8-9-20-21(18)3/h5-10,17,19H,1,11-13H2,2-4H3
InChIKeyPRXRJWXXHKFQSZ-UHFFFAOYSA-N
XLogP2.85
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 50954213) is 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine is C=C(C)COc1cccc(CNC(COC)c2ccnn2C)c1.
What is the InChIKey of 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is PRXRJWXXHKFQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)12-23-16-7-5-6-15(10-16)11-19-17(13-22-4)18-8-9-20-21(18)3/h5-10,17,19H,1,11-13H2,2-4H3.
What are the key properties of 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 315.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 50954213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).