3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H22N2O2 — CID 43195906

IUPAC3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCN1CCCC1CNC1COc2cc(O)ccc21
InChIInChI=1S/C15H22N2O2/c1-2-17-7-3-4-11(17)9-16-14-10-19-15-8-12(18)5-6-13(14)15/h5-6,8,11,14,16,18H,2-4,7,9-10H2,1H3
InChIKeyQBZCKXYZNZTRBS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43195906) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43195906
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCN1CCCC1CNC1COc2cc(O)ccc21
InChIInChI=1S/C15H22N2O2/c1-2-17-7-3-4-11(17)9-16-14-10-19-15-8-12(18)5-6-13(14)15/h5-6,8,11,14,16,18H,2-4,7,9-10H2,1H3
InChIKeyQBZCKXYZNZTRBS-UHFFFAOYSA-N
XLogP1.90
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 106126397
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 54906974
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60923578
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
CID 14151624
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43749158
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 81302172

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 43195906) is 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is CCN1CCCC1CNC1COc2cc(O)ccc21.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is QBZCKXYZNZTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-17-7-3-4-11(17)9-16-14-10-19-15-8-12(18)5-6-13(14)15/h5-6,8,11,14,16,18H,2-4,7,9-10H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 262.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43195906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).