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

C15H21N3O2 — CID 102999612

IUPAC1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O2/c1-16-11-12-4-5-14(19-3)15(10-12)20-9-7-13-6-8-17-18(13)2/h4-6,8,10,16H,7,9,11H2,1-3H3
InChIKeyRREZPALBZZVKKU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds7

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

1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 102999612) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID102999612
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O2/c1-16-11-12-4-5-14(19-3)15(10-12)20-9-7-13-6-8-17-18(13)2/h4-6,8,10,16H,7,9,11H2,1-3H3
InChIKeyRREZPALBZZVKKU-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

2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999610
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethoxy]-4-nitrophenyl]methanamine
CID 102999725
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
CID 103015658
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694574
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
3,4-dimethoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619255

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine (CID 102999612) is 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(OCCc2ccnn2C)c1.
What is the InChIKey of 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is RREZPALBZZVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-11-12-4-5-14(19-3)15(10-12)20-9-7-13-6-8-17-18(13)2/h4-6,8,10,16H,7,9,11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[4-methoxy-3-[2-(2-methylpyrazol-3-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-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102999612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).