6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine

C15H19N3O2 — CID 63097085

IUPAC6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCn1cc(COc2ccc3c(c2)OCC3NC)cn1
InChIInChI=1S/C15H19N3O2/c1-3-18-8-11(7-17-18)9-19-12-4-5-13-14(16-2)10-20-15(13)6-12/h4-8,14,16H,3,9-10H2,1-2H3
InChIKeyIWOCTUJMQBWPIR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.13
Rot. Bonds5

About 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine

6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63097085) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63097085
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCn1cc(COc2ccc3c(c2)OCC3NC)cn1
InChIInChI=1S/C15H19N3O2/c1-3-18-8-11(7-17-18)9-19-12-4-5-13-14(16-2)10-20-15(13)6-12/h4-8,14,16H,3,9-10H2,1-2H3
InChIKeyIWOCTUJMQBWPIR-UHFFFAOYSA-N
XLogP2.13
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683372
6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094982
3-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]benzonitrile
CID 63096560
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 115981802
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096753
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096386
N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 66044717
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 63097085) is 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CCn1cc(COc2ccc3c(c2)OCC3NC)cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is IWOCTUJMQBWPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-8-11(7-17-18)9-19-12-4-5-13-14(16-2)10-20-15(13)6-12/h4-8,14,16H,3,9-10H2,1-2H3.
What are the key properties of 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 273.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63097085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).