1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol

C16H23NO3 — CID 175788612

IUPAC1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol
SMILESCCOc1cccc2cc(C(C)NCC(C)(C)O)oc12
InChIInChI=1S/C16H23NO3/c1-5-19-13-8-6-7-12-9-14(20-15(12)13)11(2)17-10-16(3,4)18/h6-9,11,17-18H,5,10H2,1-4H3
InChIKeyOYFFDDFEDHXLIB-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.25
Rot. Bonds6

About 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol

1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol (PubChem CID 175788612) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol
PubChem CID175788612
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol
SMILESCCOc1cccc2cc(C(C)NCC(C)(C)O)oc12
InChIInChI=1S/C16H23NO3/c1-5-19-13-8-6-7-12-9-14(20-15(12)13)11(2)17-10-16(3,4)18/h6-9,11,17-18H,5,10H2,1-4H3
InChIKeyOYFFDDFEDHXLIB-UHFFFAOYSA-N
XLogP3.25
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol
CID 97336246
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
(1R)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-(7-ethoxy-1-benzofuran-2-yl)ethanamine
CID 97336049
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
(1S)-N-[(1R)-1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(7-ethoxy-1-benzofuran-2-yl)ethanamine
CID 97321693
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol (CID 175788612) is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol is CCOc1cccc2cc(C(C)NCC(C)(C)O)oc12.
What is the InChIKey of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is OYFFDDFEDHXLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-19-13-8-6-7-12-9-14(20-15(12)13)11(2)17-10-16(3,4)18/h6-9,11,17-18H,5,10H2,1-4H3.
What are the key properties of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol?
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 277.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 175788612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).