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

C14H17NO2 — CID 2921616

IUPAC3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCN)c1ccco1
InChIInChI=1S/C14H17NO2/c1-16-13-6-3-2-5-11(13)12(8-9-15)14-7-4-10-17-14/h2-7,10,12H,8-9,15H2,1H3
InChIKeyOTDIXAAZRDFVIV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.77
Rot. Bonds5

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

3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 2921616) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
PubChem CID2921616
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCN)c1ccco1
InChIInChI=1S/C14H17NO2/c1-16-13-6-3-2-5-11(13)12(8-9-15)14-7-4-10-17-14/h2-7,10,12H,8-9,15H2,1H3
InChIKeyOTDIXAAZRDFVIV-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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)-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (CID 2921616) is 3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine is COc1ccccc1C(CCN)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is OTDIXAAZRDFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-13-6-3-2-5-11(13)12(8-9-15)14-7-4-10-17-14/h2-7,10,12H,8-9,15H2,1H3.
What are the key properties of 3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.77, 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)-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 2921616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).