N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine

C18H23NO3 — CID 17213414

IUPACN-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESC=CCc1cc(CNCc2ccco2)cc(OC)c1OCC
InChIInChI=1S/C18H23NO3/c1-4-7-15-10-14(11-17(20-3)18(15)21-5-2)12-19-13-16-8-6-9-22-16/h4,6,8-11,19H,1,5,7,12-13H2,2-3H3
InChIKeyCPYUDIIOWXEHDM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.71
Rot. Bonds9

About N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine

N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 17213414) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine
PubChem CID17213414
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESC=CCc1cc(CNCc2ccco2)cc(OC)c1OCC
InChIInChI=1S/C18H23NO3/c1-4-7-15-10-14(11-17(20-3)18(15)21-5-2)12-19-13-16-8-6-9-22-16/h4,6,8-11,19H,1,5,7,12-13H2,2-3H3
InChIKeyCPYUDIIOWXEHDM-UHFFFAOYSA-N
XLogP3.71
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 17213394
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 4723923
N'-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215845
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]ethanamine
CID 17208796
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 17158546
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-(furan-2-yl)propanamide
CID 49367800
2-[3-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylamino]propylamino]ethanol
CID 17214431
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126127366
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]propan-2-amine;hydrochloride
CID 17213427
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17158543
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]butan-2-amine
CID 17213374

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine (CID 17213414) is N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine is C=CCc1cc(CNCc2ccco2)cc(OC)c1OCC.
What is the InChIKey of N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is CPYUDIIOWXEHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-7-15-10-14(11-17(20-3)18(15)21-5-2)12-19-13-16-8-6-9-22-16/h4,6,8-11,19H,1,5,7,12-13H2,2-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine?
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 301.39 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 17213414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).