1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine

C14H19N3O2 — CID 116792885

IUPAC1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1c(OC)cccc1Oc1cnn(C)c1
InChIInChI=1S/C14H19N3O2/c1-10(15-2)14-12(18-4)6-5-7-13(14)19-11-8-16-17(3)9-11/h5-10,15H,1-4H3
InChIKeyIAMBDYCBXUTRJC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine

1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine (PubChem CID 116792885) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
PubChem CID116792885
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1c(OC)cccc1Oc1cnn(C)c1
InChIInChI=1S/C14H19N3O2/c1-10(15-2)14-12(18-4)6-5-7-13(14)19-11-8-16-17(3)9-11/h5-10,15H,1-4H3
InChIKeyIAMBDYCBXUTRJC-UHFFFAOYSA-N
XLogP2.50
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
CID 116792890
(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893552
1-(2-cyclopentyloxy-6-methoxyphenyl)-N-methylethanamine
CID 113389061
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
CID 116792382
N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740278
4-[(2-methoxyphenyl)methoxy]-1-methylpyrazole
CID 116794197
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
6-(1-methylpyrazol-4-yl)oxypyridin-2-amine
CID 116794360
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116792751

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine (CID 116792885) is 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine is CNC(C)c1c(OC)cccc1Oc1cnn(C)c1.
What is the InChIKey of 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The InChIKey is IAMBDYCBXUTRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(15-2)14-12(18-4)6-5-7-13(14)19-11-8-16-17(3)9-11/h5-10,15H,1-4H3.
What are the key properties of 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine is sourced from PubChem (CID 116792885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).