2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

C15H21N3O2 — CID 103013023

IUPAC2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCc1ccnn1C
InChIInChI=1S/C15H21N3O2/c1-18-13(6-9-17-18)7-10-20-15-11-12(5-8-16)3-4-14(15)19-2/h3-4,6,9,11H,5,7-8,10,16H2,1-2H3
InChIKeyBQJGREYAKOPVHX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.55
Rot. Bonds7

About 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (PubChem CID 103013023) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
PubChem CID103013023
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCc1ccnn1C
InChIInChI=1S/C15H21N3O2/c1-18-13(6-9-17-18)7-10-20-15-11-12(5-8-16)3-4-14(15)19-2/h3-4,6,9,11H,5,7-8,10,16H2,1-2H3
InChIKeyBQJGREYAKOPVHX-UHFFFAOYSA-N
XLogP1.55
TPSA62.30 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999610
2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493364
2-[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]ethanamine
CID 103013161
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (CID 103013023) is 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is COc1ccc(CCN)cc1OCCc1ccnn1C.
What is the InChIKey of 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The InChIKey is BQJGREYAKOPVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-13(6-9-17-18)7-10-20-15-11-12(5-8-16)3-4-14(15)19-2/h3-4,6,9,11H,5,7-8,10,16H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 103013023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).