3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine

C13H17NO2 — CID 114728058

IUPAC3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCOCCC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C13H17NO2/c1-9-4-3-5-10-8-12(16-13(9)10)11(14)6-7-15-2/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyXSEZCXRDVBHBCO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.78
Rot. Bonds4

About 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine

3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 114728058) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID114728058
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCOCCC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C13H17NO2/c1-9-4-3-5-10-8-12(16-13(9)10)11(14)6-7-15-2/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyXSEZCXRDVBHBCO-UHFFFAOYSA-N
XLogP2.78
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine
CID 114732970
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
CID 105209906
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 103147842
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine (CID 114728058) is 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine is COCCC(N)c1cc2cccc(C)c2o1.
What is the InChIKey of 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is XSEZCXRDVBHBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-4-3-5-10-8-12(16-13(9)10)11(14)6-7-15-2/h3-5,8,11H,6-7,14H2,1-2H3.
What are the key properties of 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine?
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 219.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 114728058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).