2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine

C12H15NO2 — CID 117119202

IUPAC2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine
SMILESCOc1cccc2occ(C(C)CN)c12
InChIInChI=1S/C12H15NO2/c1-8(6-13)9-7-15-11-5-3-4-10(14-2)12(9)11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyDSMZQDUCUGQFAR-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine

2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine (PubChem CID 117119202) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine
PubChem CID117119202
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine
SMILESCOc1cccc2occ(C(C)CN)c12
InChIInChI=1S/C12H15NO2/c1-8(6-13)9-7-15-11-5-3-4-10(14-2)12(9)11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyDSMZQDUCUGQFAR-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-1-benzofuran-3-yl)butanoic acid
CID 117119216
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
3-(2-bromoethyl)-4-methoxy-1-benzofuran
CID 121364894
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
3-iodo-5-methoxychromen-4-one
CID 11514968
[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170223
2-amino-1-(7-methoxy-2-benzofuran-1-yl)ethanol
CID 57161649
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine?
The IUPAC name of 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine (CID 117119202) is 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine.
What is the SMILES notation for 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine?
The canonical SMILES for 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine is COc1cccc2occ(C(C)CN)c12.
What is the InChIKey of 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine?
The InChIKey is DSMZQDUCUGQFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(6-13)9-7-15-11-5-3-4-10(14-2)12(9)11/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine?
2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine is sourced from PubChem (CID 117119202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).