[7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol

C10H13NO2 — CID 112712254

IUPAC[7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol
SMILESNCC1=CC=CC2C=C(CO)OC12
InChIInChI=1S/C10H13NO2/c11-5-8-3-1-2-7-4-9(6-12)13-10(7)8/h1-4,7,10,12H,5-6,11H2
InChIKeyHWTVOKKRQCFYEN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.33
Rot. Bonds2

About [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol

[7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 112712254) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol
PubChem CID112712254
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol
SMILESNCC1=CC=CC2C=C(CO)OC12
InChIInChI=1S/C10H13NO2/c11-5-8-3-1-2-7-4-9(6-12)13-10(7)8/h1-4,7,10,12H,5-6,11H2
InChIKeyHWTVOKKRQCFYEN-UHFFFAOYSA-N
XLogP0.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-3a,7a-dihydro-1-benzofuran-7-carbaldehyde
CID 112712182
3a,7a-dihydro-1,2-benzoxazol-7-ylmethanamine
CID 112711875
3a,7a-dihydro-1,2-benzothiazol-7-ylmethanamine
CID 112712028
2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol
CID 112713618
3,3a,4,4a,8a,8b-hexahydrocyclopenta[b]indol-8-ylmethanamine
CID 67683528
1-[2-(hydroxymethyl)-3a,7a-dihydro-1-benzofuran-5-yl]ethanone
CID 112712625
2-bicyclo[4.4.1]undeca-2,4,6(11),7,9-pentaenylmethanamine
CID 142131681
[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol
CID 24756745
1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone
CID 112712561
2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine
CID 112712523
1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol
CID 112712952
[(1R)-8-ethyl-2-bicyclo[4.2.0]octa-2,4,7-trienyl]oxymethanamine
CID 146482589

Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol (CID 112712254) is [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol is NCC1=CC=CC2C=C(CO)OC12.
What is the InChIKey of [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is HWTVOKKRQCFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-5-8-3-1-2-7-4-9(6-12)13-10(7)8/h1-4,7,10,12H,5-6,11H2.
What are the key properties of [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol?
[7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 179.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 112712254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).