[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine

C13H17N3O2 — CID 54962092

IUPAC[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCn1cccn1
InChIInChI=1S/C13H17N3O2/c1-17-12-5-2-4-11(10-14)13(12)18-9-8-16-7-3-6-15-16/h2-7H,8-10,14H2,1H3
InChIKeyYXDLXUQOOGITTQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds6

About [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine

[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine (PubChem CID 54962092) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
PubChem CID54962092
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCn1cccn1
InChIInChI=1S/C13H17N3O2/c1-17-12-5-2-4-11(10-14)13(12)18-9-8-16-7-3-6-15-16/h2-7H,8-10,14H2,1H3
InChIKeyYXDLXUQOOGITTQ-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 112615203
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine
CID 117052076
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
3-(2-pyrazol-1-ylethoxy)pyridin-2-amine
CID 61491639
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine (CID 54962092) is [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine is COc1cccc(CN)c1OCCn1cccn1.
What is the InChIKey of [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The InChIKey is YXDLXUQOOGITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-12-5-2-4-11(10-14)13(12)18-9-8-16-7-3-6-15-16/h2-7H,8-10,14H2,1H3.
What are the key properties of [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 54962092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).