1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine

C12H15NO2 — CID 117293594

IUPAC1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
SMILESCOc1ccc(CC(C)N)c2ccoc12
InChIInChI=1S/C12H15NO2/c1-8(13)7-9-3-4-11(14-2)12-10(9)5-6-15-12/h3-6,8H,7,13H2,1-2H3
InChIKeyBWCNPJJKWJSQAG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.33
Rot. Bonds3

About 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine

1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine (PubChem CID 117293594) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
PubChem CID117293594
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
SMILESCOc1ccc(CC(C)N)c2ccoc12
InChIInChI=1S/C12H15NO2/c1-8(13)7-9-3-4-11(14-2)12-10(9)5-6-15-12/h3-6,8H,7,13H2,1-2H3
InChIKeyBWCNPJJKWJSQAG-UHFFFAOYSA-N
XLogP2.33
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84710255
(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397657
1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397655
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
CID 117354020
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine
CID 117428275
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
5-methoxy-1-benzofuran-4-amine
CID 82373036
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611
2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid
CID 69006707
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine?
The IUPAC name of 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine (CID 117293594) is 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine.
What is the SMILES notation for 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine?
The canonical SMILES for 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine is COc1ccc(CC(C)N)c2ccoc12.
What is the InChIKey of 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine?
The InChIKey is BWCNPJJKWJSQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(13)7-9-3-4-11(14-2)12-10(9)5-6-15-12/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine?
1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine has a molecular weight of 205.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine is sourced from PubChem (CID 117293594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).