3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol

C16H24N2O2 — CID 79115818

IUPAC3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCN(C1CCC(N)CC1)C1COc2cc(O)ccc21
InChIInChI=1S/C16H24N2O2/c1-2-18(12-5-3-11(17)4-6-12)15-10-20-16-9-13(19)7-8-14(15)16/h7-9,11-12,15,19H,2-6,10,17H2,1H3
InChIKeyYCIVMDALVBOJCU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds3

About 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 79115818) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID79115818
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCN(C1CCC(N)CC1)C1COc2cc(O)ccc21
InChIInChI=1S/C16H24N2O2/c1-2-18(12-5-3-11(17)4-6-12)15-10-20-16-9-13(19)7-8-14(15)16/h7-9,11-12,15,19H,2-6,10,17H2,1H3
InChIKeyYCIVMDALVBOJCU-UHFFFAOYSA-N
XLogP2.42
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol with MolForge

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Related Compounds

3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82974967
3-[propan-2-yl(propyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977422
3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82976511
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977660
3-[methyl(3-methylbutyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82986050
3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978423
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 105418854
N-(4-aminocyclohexyl)-N-ethyl-4-hydroxy-2-methylbenzamide
CID 107672163
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)-methylamino]-2-methylpropanoic acid
CID 65061336
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 79115818) is 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol is CCN(C1CCC(N)CC1)C1COc2cc(O)ccc21.
What is the InChIKey of 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is YCIVMDALVBOJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18(12-5-3-11(17)4-6-12)15-10-20-16-9-13(19)7-8-14(15)16/h7-9,11-12,15,19H,2-6,10,17H2,1H3.
What are the key properties of 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 276.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 79115818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).