1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol

C14H19NO2 — CID 66363634

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C14H19NO2/c1-2-14(16)9-15(10-14)8-12-7-11-5-3-4-6-13(11)17-12/h3-6,12,16H,2,7-10H2,1H3
InChIKeyCPEKWHFSAGFZMO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.45
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol (PubChem CID 66363634) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
PubChem CID66363634
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C14H19NO2/c1-2-14(16)9-15(10-14)8-12-7-11-5-3-4-6-13(11)17-12/h3-6,12,16H,2,7-10H2,1H3
InChIKeyCPEKWHFSAGFZMO-UHFFFAOYSA-N
XLogP1.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 66365727
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 66364759
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol
CID 66361467
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62234085
10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64951147

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol (CID 66363634) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol is CCC1(O)CN(CC2Cc3ccccc3O2)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol?
The InChIKey is CPEKWHFSAGFZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-14(16)9-15(10-14)8-12-7-11-5-3-4-6-13(11)17-12/h3-6,12,16H,2,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol has a molecular weight of 233.31 g/mol, XLogP of 1.45, 3 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-2-ylmethyl)-3-ethylazetidin-3-ol is sourced from PubChem (CID 66363634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).