3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine

C22H25NO3 — CID 2950739

IUPAC3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
InChIInChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
InChIKeyUNWNWIIYCPDJPJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.61
Rot. Bonds9

About 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine

3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 2950739) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID2950739
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
InChIInChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
InChIKeyUNWNWIIYCPDJPJ-UHFFFAOYSA-N
XLogP4.61
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine (CID 2950739) is 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine is COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1.
What is the InChIKey of 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is UNWNWIIYCPDJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 351.45 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 2950739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).