1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine

C16H21NO3 — CID 107668479

IUPAC1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCCc1ccc(OCc2cc(CNC)co2)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-4-12-5-6-15(16(8-12)18-3)20-11-14-7-13(9-17-2)10-19-14/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyHVDVRGOWGZYOOO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.15
Rot. Bonds7

About 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine

1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 107668479) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
PubChem CID107668479
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCCc1ccc(OCc2cc(CNC)co2)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-4-12-5-6-15(16(8-12)18-3)20-11-14-7-13(9-17-2)10-19-14/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyHVDVRGOWGZYOOO-UHFFFAOYSA-N
XLogP3.15
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62449573
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
N-[[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 107668507
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 60881866
1-[6-(4-ethyl-2-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666919
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
CID 62453127
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine (CID 107668479) is 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine is CCc1ccc(OCc2cc(CNC)co2)c(OC)c1.
What is the InChIKey of 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is HVDVRGOWGZYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-12-5-6-15(16(8-12)18-3)20-11-14-7-13(9-17-2)10-19-14/h5-8,10,17H,4,9,11H2,1-3H3.
What are the key properties of 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 107668479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).