3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

C16H23NO2 — CID 114726904

IUPAC3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCN(CC)CCC(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H23NO2/c1-4-17(5-2)9-8-14(18)16-11-13-10-12(3)6-7-15(13)19-16/h6-7,10-11,14,18H,4-5,8-9H2,1-3H3
InChIKeyCASPLYCLVLBWOB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.51
Rot. Bonds6

About 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 114726904) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID114726904
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCN(CC)CCC(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H23NO2/c1-4-17(5-2)9-8-14(18)16-11-13-10-12(3)6-7-15(13)19-16/h6-7,10-11,14,18H,4-5,8-9H2,1-3H3
InChIKeyCASPLYCLVLBWOB-UHFFFAOYSA-N
XLogP3.51
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170
3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 105129193
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
1-(5-ethyl-1-benzofuran-2-yl)butan-1-ol
CID 65439756

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (CID 114726904) is 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is CCN(CC)CCC(O)c1cc2cc(C)ccc2o1.
What is the InChIKey of 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is CASPLYCLVLBWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-17(5-2)9-8-14(18)16-11-13-10-12(3)6-7-15(13)19-16/h6-7,10-11,14,18H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 114726904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).