N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine

C16H21N3O2 — CID 63096227

IUPACN-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCCn3cccn3)ccc21
InChIInChI=1S/C16H21N3O2/c1-2-6-17-15-12-21-16-11-13(4-5-14(15)16)20-10-9-19-8-3-7-18-19/h3-5,7-8,11,15,17H,2,6,9-10,12H2,1H3
InChIKeyGGHVTWHLTPPCAQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.40
Rot. Bonds7

About N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine

N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096227) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096227
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2cc(OCCn3cccn3)ccc21
InChIInChI=1S/C16H21N3O2/c1-2-6-17-15-12-21-16-11-13(4-5-14(15)16)20-10-9-19-8-3-7-18-19/h3-5,7-8,11,15,17H,2,6,9-10,12H2,1H3
InChIKeyGGHVTWHLTPPCAQ-UHFFFAOYSA-N
XLogP2.40
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875
3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
CID 63097104
methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
CID 63949104
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096581
N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63094821
N-ethyl-6-(3-imidazol-1-ylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096398
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096050
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
2-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoic acid
CID 55182410
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63094974
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 63096227) is N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine is CCCNC1COc2cc(OCCn3cccn3)ccc21.
What is the InChIKey of N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is GGHVTWHLTPPCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-6-17-15-12-21-16-11-13(4-5-14(15)16)20-10-9-19-8-3-7-18-19/h3-5,7-8,11,15,17H,2,6,9-10,12H2,1H3.
What are the key properties of N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 287.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).