N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine

C17H21NO2 — CID 76943591

IUPACN-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCC=Cc1ccccc1OCc1occc1CNCC
InChIInChI=1S/C17H21NO2/c1-3-7-14-8-5-6-9-16(14)20-13-17-15(10-11-19-17)12-18-4-2/h3,5-11,18H,4,12-13H2,1-2H3
InChIKeyDEWZLBPJQHSICS-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.00
Rot. Bonds7

About N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 76943591) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID76943591
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCC=Cc1ccccc1OCc1occc1CNCC
InChIInChI=1S/C17H21NO2/c1-3-7-14-8-5-6-9-16(14)20-13-17-15(10-11-19-17)12-18-4-2/h3,5-11,18H,4,12-13H2,1-2H3
InChIKeyDEWZLBPJQHSICS-UHFFFAOYSA-N
XLogP4.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
CID 76943625
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62449654
N-[[2-[(2,5-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 63273237
N-[[2-(quinolin-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 107387788
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[2-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63647733
N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82825719
N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 115402761
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
N-[[5-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557957
N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62484329

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 76943591) is N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine is CC=Cc1ccccc1OCc1occc1CNCC.
What is the InChIKey of N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is DEWZLBPJQHSICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-7-14-8-5-6-9-16(14)20-13-17-15(10-11-19-17)12-18-4-2/h3,5-11,18H,4,12-13H2,1-2H3.
What are the key properties of N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 76943591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).