3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine

C17H23NO2 — CID 3972597

IUPAC3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNCCC(c1ccco1)c1ccccc1OC
InChIInChI=1S/C17H23NO2/c1-3-11-18-12-10-15(17-9-6-13-20-17)14-7-4-5-8-16(14)19-2/h4-9,13,15,18H,3,10-12H2,1-2H3
InChIKeySNTRWRFPXFTCOV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.81
Rot. Bonds8

About 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine

3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 3972597) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID3972597
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNCCC(c1ccco1)c1ccccc1OC
InChIInChI=1S/C17H23NO2/c1-3-11-18-12-10-15(17-9-6-13-20-17)14-7-4-5-8-16(14)19-2/h4-9,13,15,18H,3,10-12H2,1-2H3
InChIKeySNTRWRFPXFTCOV-UHFFFAOYSA-N
XLogP3.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine (CID 3972597) is 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine is CCCNCCC(c1ccco1)c1ccccc1OC.
What is the InChIKey of 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is SNTRWRFPXFTCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-11-18-12-10-15(17-9-6-13-20-17)14-7-4-5-8-16(14)19-2/h4-9,13,15,18H,3,10-12H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine?
3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.81, 8 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)-N-propylpropan-1-amine is sourced from PubChem (CID 3972597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).