1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine

C15H21N3O2 — CID 102999649

IUPAC1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC)c1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O2/c1-16-10-13-5-4-6-14(19-3)15(13)20-8-7-12-9-17-18(2)11-12/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyKNUNUAIDSDPFCP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds7

About 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine

1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 102999649) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID102999649
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OC)c1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O2/c1-16-10-13-5-4-6-14(19-3)15(13)20-8-7-12-9-17-18(2)11-12/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyKNUNUAIDSDPFCP-UHFFFAOYSA-N
XLogP1.77
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 62126144
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730122
N-[[3-fluoro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999952
N-[[3-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999936
1-[2-[2-methoxy-6-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898545
1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449857
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
CID 63264581
N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999613
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine (CID 102999649) is 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OC)c1OCCc1cnn(C)c1.
What is the InChIKey of 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is KNUNUAIDSDPFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-10-13-5-4-6-14(19-3)15(13)20-8-7-12-9-17-18(2)11-12/h4-6,9,11,16H,7-8,10H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102999649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).