N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine

C17H23NO3 — CID 62449858

IUPACN-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COc2ccc(OCC)cc2)cc1C
InChIInChI=1S/C17H23NO3/c1-4-18-11-17-13(3)10-16(21-17)12-20-15-8-6-14(7-9-15)19-5-2/h6-10,18H,4-5,11-12H2,1-3H3
InChIKeyIAZOKRIJIJIRJR-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.68
Rot. Bonds8

About N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine

N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine (PubChem CID 62449858) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
PubChem CID62449858
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COc2ccc(OCC)cc2)cc1C
InChIInChI=1S/C17H23NO3/c1-4-18-11-17-13(3)10-16(21-17)12-20-15-8-6-14(7-9-15)19-5-2/h6-10,18H,4-5,11-12H2,1-3H3
InChIKeyIAZOKRIJIJIRJR-UHFFFAOYSA-N
XLogP3.68
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62548082
N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 83233998
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 81325778
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
N-[[3-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 63649074
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62440838
N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445521
N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049006
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine (CID 62449858) is N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine is CCNCc1oc(COc2ccc(OCC)cc2)cc1C.
What is the InChIKey of N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is IAZOKRIJIJIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-18-11-17-13(3)10-16(21-17)12-20-15-8-6-14(7-9-15)19-5-2/h6-10,18H,4-5,11-12H2,1-3H3.
What are the key properties of N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62449858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).