(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol

C14H19NO3 — CID 113352580

IUPAC(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C14H19NO3/c1-3-11(9-16)15-8-12-7-10-5-4-6-13(17-2)14(10)18-12/h4-7,11,15-16H,3,8-9H2,1-2H3/t11-/m1/s1
InChIKeyRIEQWFZRGMMNBM-LLVKDONJSA-N
MW249.31 g/mol
LogP2.30
Rot. Bonds6

About (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol

(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol (PubChem CID 113352580) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
PubChem CID113352580
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C14H19NO3/c1-3-11(9-16)15-8-12-7-10-5-4-6-13(17-2)14(10)18-12/h4-7,11,15-16H,3,8-9H2,1-2H3/t11-/m1/s1
InChIKeyRIEQWFZRGMMNBM-LLVKDONJSA-N
XLogP2.30
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899996
3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 63843448
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutanoate
CID 60781620
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine
CID 62732794
(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 39965978
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432802

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol (CID 113352580) is (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cc2cccc(OC)c2o1.
What is the InChIKey of (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol?
The InChIKey is RIEQWFZRGMMNBM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11(9-16)15-8-12-7-10-5-4-6-13(17-2)14(10)18-12/h4-7,11,15-16H,3,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol?
(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 113352580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).