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

C14H19NO2 — CID 43226104

IUPAC1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
SMILESCCc1oc2ccccc2c1CNCC(C)O
InChIInChI=1S/C14H19NO2/c1-3-13-12(9-15-8-10(2)16)11-6-4-5-7-14(11)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3
InChIKeyAOIMHSDSLHIKAR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds5

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

1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol (PubChem CID 43226104) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
PubChem CID43226104
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
SMILESCCc1oc2ccccc2c1CNCC(C)O
InChIInChI=1S/C14H19NO2/c1-3-13-12(9-15-8-10(2)16)11-6-4-5-7-14(11)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3
InChIKeyAOIMHSDSLHIKAR-UHFFFAOYSA-N
XLogP2.47
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43434685
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol (CID 43226104) is 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol is CCc1oc2ccccc2c1CNCC(C)O.
What is the InChIKey of 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol?
The InChIKey is AOIMHSDSLHIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-13-12(9-15-8-10(2)16)11-6-4-5-7-14(11)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol?
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 43226104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).