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

C15H21N3O2 — CID 103013018

IUPAC2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O2/c1-18-11-12(10-17-18)7-9-20-15-13(6-8-16)4-3-5-14(15)19-2/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyRDOGIVDBCKQVLE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.55
Rot. Bonds7

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

2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine (PubChem CID 103013018) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
PubChem CID103013018
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCc1cnn(C)c1
InChIInChI=1S/C15H21N3O2/c1-18-11-12(10-17-18)7-9-20-15-13(6-8-16)4-3-5-14(15)19-2/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyRDOGIVDBCKQVLE-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-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999649
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
N-[[3-fluoro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999952
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 54930681
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22680824
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine (CID 103013018) is 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine is COc1cccc(CCN)c1OCCc1cnn(C)c1.
What is the InChIKey of 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
The InChIKey is RDOGIVDBCKQVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-11-12(10-17-18)7-9-20-15-13(6-8-16)4-3-5-14(15)19-2/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
2-[3-methoxy-2-[2-(1-methylpyrazol-4-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-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 103013018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).