3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine

C14H17NO2 — CID 3239849

IUPAC3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)CCc2ccco2)cc1
InChIInChI=1S/C14H17NO2/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-7,10,14H,8-9,15H2,1H3
InChIKeyAZSMKIIOFLZAOU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.92
Rot. Bonds5

About 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine

3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 3239849) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID3239849
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)CCc2ccco2)cc1
InChIInChI=1S/C14H17NO2/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-7,10,14H,8-9,15H2,1H3
InChIKeyAZSMKIIOFLZAOU-UHFFFAOYSA-N
XLogP2.92
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine (CID 3239849) is 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)CCc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is AZSMKIIOFLZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-7,10,14H,8-9,15H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine?
3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 3239849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).