3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol

C17H25NO2 — CID 103785860

IUPAC3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO2/c1-12(18-11-13-3-2-4-16(19)9-13)14-5-6-17-15(10-14)7-8-20-17/h5-6,10,12-13,16,18-19H,2-4,7-9,11H2,1H3
InChIKeyAWCZNYKSTJMWQG-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.82
Rot. Bonds4

About 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol

3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103785860) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103785860
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO2/c1-12(18-11-13-3-2-4-16(19)9-13)14-5-6-17-15(10-14)7-8-20-17/h5-6,10,12-13,16,18-19H,2-4,7-9,11H2,1H3
InChIKeyAWCZNYKSTJMWQG-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66006062
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412072
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol (CID 103785860) is 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCC(O)C1)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is AWCZNYKSTJMWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(18-11-13-3-2-4-16(19)9-13)14-5-6-17-15(10-14)7-8-20-17/h5-6,10,12-13,16,18-19H,2-4,7-9,11H2,1H3.
What are the key properties of 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol?
3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).