1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine

C15H21N3O2 — CID 60999677

IUPAC1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCOCc1cc(C(C)NCc2cn[nH]c2)ccc1OC
InChIInChI=1S/C15H21N3O2/c1-11(16-7-12-8-17-18-9-12)13-4-5-15(20-3)14(6-13)10-19-2/h4-6,8-9,11,16H,7,10H2,1-3H3,(H,17,18)
InChIKeyRDDUUACBSOWXGK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.42
Rot. Bonds7

About 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine

1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 60999677) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID60999677
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCOCc1cc(C(C)NCc2cn[nH]c2)ccc1OC
InChIInChI=1S/C15H21N3O2/c1-11(16-7-12-8-17-18-9-12)13-4-5-15(20-3)14(6-13)10-19-2/h4-6,8-9,11,16H,7,10H2,1-3H3,(H,17,18)
InChIKeyRDDUUACBSOWXGK-UHFFFAOYSA-N
XLogP2.42
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 115711465
1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601
1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 78950438
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
4-[1-(1H-pyrazol-4-ylmethylamino)ethyl]benzonitrile
CID 54897525
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 60999677) is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine is COCc1cc(C(C)NCc2cn[nH]c2)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is RDDUUACBSOWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(16-7-12-8-17-18-9-12)13-4-5-15(20-3)14(6-13)10-19-2/h4-6,8-9,11,16H,7,10H2,1-3H3,(H,17,18).
What are the key properties of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 60999677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).