2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile

C15H18N2O2 — CID 65482109

IUPAC2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCNC1COc2cc(OCC3(CC#N)CC3)ccc21
InChIInChI=1S/C15H18N2O2/c1-17-13-9-18-14-8-11(2-3-12(13)14)19-10-15(4-5-15)6-7-16/h2-3,8,13,17H,4-6,9-10H2,1H3
InChIKeyRZJOYTYYCYKEFW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.41
Rot. Bonds5

About 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile

2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile (PubChem CID 65482109) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile
PubChem CID65482109
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile
SMILESCNC1COc2cc(OCC3(CC#N)CC3)ccc21
InChIInChI=1S/C15H18N2O2/c1-17-13-9-18-14-8-11(2-3-12(13)14)19-10-15(4-5-15)6-7-16/h2-3,8,13,17H,4-6,9-10H2,1H3
InChIKeyRZJOYTYYCYKEFW-UHFFFAOYSA-N
XLogP2.41
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile (CID 65482109) is 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile is CNC1COc2cc(OCC3(CC#N)CC3)ccc21.
What is the InChIKey of 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is RZJOYTYYCYKEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-13-9-18-14-8-11(2-3-12(13)14)19-10-15(4-5-15)6-7-16/h2-3,8,13,17H,4-6,9-10H2,1H3.
What are the key properties of 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile?
2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65482109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).