1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine

C14H19NO2 — CID 65438287

IUPAC1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
SMILESCCCOc1ccc2oc(C(N)CC)cc2c1
InChIInChI=1S/C14H19NO2/c1-3-7-16-11-5-6-13-10(8-11)9-14(17-13)12(15)4-2/h5-6,8-9,12H,3-4,7,15H2,1-2H3
InChIKeyIOPWLOZBSSWLMD-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.63
Rot. Bonds5

About 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine

1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65438287) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
PubChem CID65438287
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
SMILESCCCOc1ccc2oc(C(N)CC)cc2c1
InChIInChI=1S/C14H19NO2/c1-3-7-16-11-5-6-13-10(8-11)9-14(17-13)12(15)4-2/h5-6,8-9,12H,3-4,7,15H2,1-2H3
InChIKeyIOPWLOZBSSWLMD-UHFFFAOYSA-N
XLogP3.63
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438476
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
(5-propoxy-1-benzofuran-2-yl)oxyboronic acid
CID 54485072
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680
2-chloro-6-propoxynaphthalene
CID 125116367
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312

Frequently Asked Questions

What is the IUPAC name of 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine (CID 65438287) is 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine is CCCOc1ccc2oc(C(N)CC)cc2c1.
What is the InChIKey of 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is IOPWLOZBSSWLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-7-16-11-5-6-13-10(8-11)9-14(17-13)12(15)4-2/h5-6,8-9,12H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65438287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).