4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol

C15H21NO3 — CID 103906093

IUPAC4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H21NO3/c1-11(16-8-7-13(17)10-18-2)15-9-12-5-3-4-6-14(12)19-15/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3
InChIKeyQDSUOVKRKPLYGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds7

About 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol

4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol (PubChem CID 103906093) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
PubChem CID103906093
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H21NO3/c1-11(16-8-7-13(17)10-18-2)15-9-12-5-3-4-6-14(12)19-15/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3
InChIKeyQDSUOVKRKPLYGJ-UHFFFAOYSA-N
XLogP2.48
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol (CID 103906093) is 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol is COCC(O)CCNC(C)c1cc2ccccc2o1.
What is the InChIKey of 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
The InChIKey is QDSUOVKRKPLYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(16-8-7-13(17)10-18-2)15-9-12-5-3-4-6-14(12)19-15/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3.
What are the key properties of 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol?
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol has a molecular weight of 263.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103906093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).