2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile

C16H22N2O2 — CID 115350025

IUPAC2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C16H22N2O2/c1-5-18(6-2)14(10-17)13-9-15-12(7-11(3)20-15)8-16(13)19-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyAQPHBMBDDCRTGO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.93
Rot. Bonds5

About 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile

2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile (PubChem CID 115350025) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile
PubChem CID115350025
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C16H22N2O2/c1-5-18(6-2)14(10-17)13-9-15-12(7-11(3)20-15)8-16(13)19-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyAQPHBMBDDCRTGO-UHFFFAOYSA-N
XLogP2.93
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethoxy)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile
CID 103375982
2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile
CID 115349853
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hexan-1-ol
CID 115349970
1-[hydroxy-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentane-1-carbonitrile
CID 115350166
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
CID 115349956
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(ethylamino)acetonitrile
CID 43115106
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-pent-3-ynylethane-1,2-diamine
CID 116643404
3-(ethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350135
2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 113291916
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hex-4-yn-1-ol
CID 104809675
methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
CID 115350139
2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol
CID 103376772

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile (CID 115350025) is 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile is CCN(CC)C(C#N)c1cc2c(cc1OC)CC(C)O2.
What is the InChIKey of 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile?
The InChIKey is AQPHBMBDDCRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-18(6-2)14(10-17)13-9-15-12(7-11(3)20-15)8-16(13)19-4/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile?
2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile is sourced from PubChem (CID 115350025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).