N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine

C16H21NO3 — CID 115711465

IUPACN-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(C(C)NCc2ccoc2)ccc1OC
InChIInChI=1S/C16H21NO3/c1-12(17-9-13-6-7-20-10-13)14-4-5-16(19-3)15(8-14)11-18-2/h4-8,10,12,17H,9,11H2,1-3H3
InChIKeyVVYHYDZJWGFIFL-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.29
Rot. Bonds7

About N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine

N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine (PubChem CID 115711465) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
PubChem CID115711465
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(C(C)NCc2ccoc2)ccc1OC
InChIInChI=1S/C16H21NO3/c1-12(17-9-13-6-7-20-10-13)14-4-5-16(19-3)15(8-14)11-18-2/h4-8,10,12,17H,9,11H2,1-3H3
InChIKeyVVYHYDZJWGFIFL-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 60999677
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine
CID 79091158
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 63727807
N-[2-(furan-2-yl)ethyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43515337
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine (CID 115711465) is N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine is COCc1cc(C(C)NCc2ccoc2)ccc1OC.
What is the InChIKey of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
The InChIKey is VVYHYDZJWGFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(17-9-13-6-7-20-10-13)14-4-5-16(19-3)15(8-14)11-18-2/h4-8,10,12,17H,9,11H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 115711465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).