1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine

C15H19NO2 — CID 60776548

IUPAC1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO2/c1-3-17-14-6-4-5-13(9-14)10-16-11-15-8-7-12(2)18-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyOFCYGBWOMHMWHH-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.28
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine

1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 60776548) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID60776548
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO2/c1-3-17-14-6-4-5-13(9-14)10-16-11-15-8-7-12(2)18-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyOFCYGBWOMHMWHH-UHFFFAOYSA-N
XLogP3.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
CID 115213024
N-methyl-1-[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanamine
CID 106486033
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096722
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(5-methylfuran-2-yl)methyl]-1-(3-nitrophenyl)methanamine
CID 62504349

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 60776548) is 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is CCOc1cccc(CNCc2ccc(C)o2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is OFCYGBWOMHMWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-17-14-6-4-5-13(9-14)10-16-11-15-8-7-12(2)18-15/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 245.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 60776548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).