1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one

C16H23NO2 — CID 116566776

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
SMILESCCNC(C)CC(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO2/c1-3-17-12(2)10-15(18)6-4-13-5-7-16-14(11-13)8-9-19-16/h5,7,11-12,17H,3-4,6,8-10H2,1-2H3
InChIKeySWKSEDAGDLYAIB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.51
Rot. Bonds7

About 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one

1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one (PubChem CID 116566776) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
PubChem CID116566776
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
SMILESCCNC(C)CC(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO2/c1-3-17-12(2)10-15(18)6-4-13-5-7-16-14(11-13)8-9-19-16/h5,7,11-12,17H,3-4,6,8-10H2,1-2H3
InChIKeySWKSEDAGDLYAIB-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
CID 116553577
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
CID 113376192
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propan-2-ylamino]propanoic acid
CID 65446593
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one (CID 116566776) is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one is CCNC(C)CC(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one?
The InChIKey is SWKSEDAGDLYAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-17-12(2)10-15(18)6-4-13-5-7-16-14(11-13)8-9-19-16/h5,7,11-12,17H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one has a molecular weight of 261.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one is sourced from PubChem (CID 116566776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).