3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine

C13H17NO2 — CID 117312696

IUPAC3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine
SMILESCOc1cc(C(C)CCN)cc2ccoc12
InChIInChI=1S/C13H17NO2/c1-9(3-5-14)11-7-10-4-6-16-13(10)12(8-11)15-2/h4,6-9H,3,5,14H2,1-2H3
InChIKeyHFEPDXISTIXMEC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.89
Rot. Bonds4

About 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine

3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine (PubChem CID 117312696) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine
PubChem CID117312696
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine
SMILESCOc1cc(C(C)CCN)cc2ccoc12
InChIInChI=1S/C13H17NO2/c1-9(3-5-14)11-7-10-4-6-16-13(10)12(8-11)15-2/h4,6-9H,3,5,14H2,1-2H3
InChIKeyHFEPDXISTIXMEC-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
3-(3,4-dimethoxy-5-phenylphenyl)butan-1-amine
CID 82542986
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
3-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328028
5-chloro-7-methoxy-1-benzofuran
CID 123860132
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine
CID 117320551
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
CID 82542335
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
4-(4-aminobutan-2-yl)-2-methoxy-6-nitrophenol
CID 116987611

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine?
The IUPAC name of 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine (CID 117312696) is 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine.
What is the SMILES notation for 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine?
The canonical SMILES for 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine is COc1cc(C(C)CCN)cc2ccoc12.
What is the InChIKey of 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine?
The InChIKey is HFEPDXISTIXMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(3-5-14)11-7-10-4-6-16-13(10)12(8-11)15-2/h4,6-9H,3,5,14H2,1-2H3.
What are the key properties of 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine?
3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine has a molecular weight of 219.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine is sourced from PubChem (CID 117312696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).