N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine

C18H23NO2 — CID 76943780

IUPACN-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(COCC=Cc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15(2)19-12-17-11-18(21-13-17)14-20-10-6-9-16-7-4-3-5-8-16/h3-9,11,13,15,19H,10,12,14H2,1-2H3
InChIKeyBMFHJXZSRBCQHY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.01
Rot. Bonds8

About N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine

N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 76943780) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID76943780
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(COCC=Cc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15(2)19-12-17-11-18(21-13-17)14-20-10-6-9-16-7-4-3-5-8-16/h3-9,11,13,15,19H,10,12,14H2,1-2H3
InChIKeyBMFHJXZSRBCQHY-UHFFFAOYSA-N
XLogP4.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.01
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 N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine (CID 76943780) is N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(COCC=Cc2ccccc2)c1.
What is the InChIKey of N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is BMFHJXZSRBCQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(2)19-12-17-11-18(21-13-17)14-20-10-6-9-16-7-4-3-5-8-16/h3-9,11,13,15,19H,10,12,14H2,1-2H3.
What are the key properties of N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine?
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 76943780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).