3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol

C15H21NO2 — CID 78997742

IUPAC3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
SMILESCCc1oc2ccccc2c1CNC(C)CCO
InChIInChI=1S/C15H21NO2/c1-3-14-13(10-16-11(2)8-9-17)12-6-4-5-7-15(12)18-14/h4-7,11,16-17H,3,8-10H2,1-2H3
InChIKeyMFACUWINPBEULX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds6

About 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol

3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol (PubChem CID 78997742) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
PubChem CID78997742
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
SMILESCCc1oc2ccccc2c1CNC(C)CCO
InChIInChI=1S/C15H21NO2/c1-3-14-13(10-16-11(2)8-9-17)12-6-4-5-7-15(12)18-14/h4-7,11,16-17H,3,8-10H2,1-2H3
InChIKeyMFACUWINPBEULX-UHFFFAOYSA-N
XLogP2.86
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
CID 43226091
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
CID 43226132
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 43226121
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol (CID 78997742) is 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol is CCc1oc2ccccc2c1CNC(C)CCO.
What is the InChIKey of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
The InChIKey is MFACUWINPBEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-14-13(10-16-11(2)8-9-17)12-6-4-5-7-15(12)18-14/h4-7,11,16-17H,3,8-10H2,1-2H3.
What are the key properties of 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol?
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 78997742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).