[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol

C17H25NO2 — CID 104934379

IUPAC[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO2/c19-12-15-3-1-2-4-16(15)18-9-7-13-5-6-17-14(11-13)8-10-20-17/h5-6,11,15-16,18-19H,1-4,7-10,12H2
InChIKeyUUELLYRCSGFYKS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.30
Rot. Bonds5

About [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol

[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol (PubChem CID 104934379) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
PubChem CID104934379
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO2/c19-12-15-3-1-2-4-16(15)18-9-7-13-5-6-17-14(11-13)8-10-20-17/h5-6,11,15-16,18-19H,1-4,7-10,12H2
InChIKeyUUELLYRCSGFYKS-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cycloheptane-1-carboxamide
CID 99633719
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65431787
trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 60713488
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopentyl]methanol
CID 65445774
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 65444645
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 95935146

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol (CID 104934379) is [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol is OCC1CCCCC1NCCc1ccc2c(c1)CCO2.
What is the InChIKey of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol?
The InChIKey is UUELLYRCSGFYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-12-15-3-1-2-4-16(15)18-9-7-13-5-6-17-14(11-13)8-10-20-17/h5-6,11,15-16,18-19H,1-4,7-10,12H2.
What are the key properties of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol?
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol has a molecular weight of 275.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 104934379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).