4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol

C11H17NO2 — CID 112715380

IUPAC4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCC1CCc2occc2C1(O)CCN
InChIInChI=1S/C11H17NO2/c1-8-2-3-10-9(4-7-14-10)11(8,13)5-6-12/h4,7-8,13H,2-3,5-6,12H2,1H3
InChIKeyIHHRNRZCUNZEGP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.40
Rot. Bonds2

About 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol

4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 112715380) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID112715380
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCC1CCc2occc2C1(O)CCN
InChIInChI=1S/C11H17NO2/c1-8-2-3-10-9(4-7-14-10)11(8,13)5-6-12/h4,7-8,13H,2-3,5-6,12H2,1H3
InChIKeyIHHRNRZCUNZEGP-UHFFFAOYSA-N
XLogP1.40
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol
CID 112716249
4-(2-aminoethyl)-3,5-dimethyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
CID 112716488
methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate
CID 112716289
7-(2-aminoethyl)-2,6-dimethyl-5,6-dihydro-4H-indazol-7-ol
CID 112716364
2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112715471
4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
CID 112715529
7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
CID 112715402
1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol
CID 83910574
6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol
CID 112716679
4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466959
6-(2-aminoethyl)-5-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ol
CID 112715527
2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid
CID 83838197

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol (CID 112715380) is 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol is CC1CCc2occc2C1(O)CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is IHHRNRZCUNZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-2-3-10-9(4-7-14-10)11(8,13)5-6-12/h4,7-8,13H,2-3,5-6,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 195.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 112715380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).