3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol

C15H21NO2 — CID 82981229

IUPAC3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1CCCCCN1C1COc2cc(O)ccc21
InChIInChI=1S/C15H21NO2/c1-11-5-3-2-4-8-16(11)14-10-18-15-9-12(17)6-7-13(14)15/h6-7,9,11,14,17H,2-5,8,10H2,1H3
InChIKeyFALPRIYQENKKOB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.09
Rot. Bonds1

About 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol

3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82981229) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82981229
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1CCCCCN1C1COc2cc(O)ccc21
InChIInChI=1S/C15H21NO2/c1-11-5-3-2-4-8-16(11)14-10-18-15-9-12(17)6-7-13(14)15/h6-7,9,11,14,17H,2-5,8,10H2,1H3
InChIKeyFALPRIYQENKKOB-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82985765
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
CID 65063196
1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65056044
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82974967
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
CID 63240862
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82958957
3-[(2-methylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43194977
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
CID 14151624
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 60931257

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol (CID 82981229) is 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol is CC1CCCCCN1C1COc2cc(O)ccc21.
What is the InChIKey of 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is FALPRIYQENKKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-3-2-4-8-16(11)14-10-18-15-9-12(17)6-7-13(14)15/h6-7,9,11,14,17H,2-5,8,10H2,1H3.
What are the key properties of 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 247.34 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82981229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).