[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine

C14H17NO3 — CID 63984257

IUPAC[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
SMILESCOCc1cccc(OCc2occc2CN)c1
InChIInChI=1S/C14H17NO3/c1-16-9-11-3-2-4-13(7-11)18-10-14-12(8-15)5-6-17-14/h2-7H,8-10,15H2,1H3
InChIKeyWMQHXUAUHZYLIL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.46
Rot. Bonds6

About [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine

[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine (PubChem CID 63984257) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
PubChem CID63984257
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
SMILESCOCc1cccc(OCc2occc2CN)c1
InChIInChI=1S/C14H17NO3/c1-16-9-11-3-2-4-13(7-11)18-10-14-12(8-15)5-6-17-14/h2-7H,8-10,15H2,1H3
InChIKeyWMQHXUAUHZYLIL-UHFFFAOYSA-N
XLogP2.46
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
CID 62486299
[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine
CID 65125204
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[2-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107314996
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine (CID 63984257) is [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine is COCc1cccc(OCc2occc2CN)c1.
What is the InChIKey of [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine?
The InChIKey is WMQHXUAUHZYLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-16-9-11-3-2-4-13(7-11)18-10-14-12(8-15)5-6-17-14/h2-7H,8-10,15H2,1H3.
What are the key properties of [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine?
[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine has a molecular weight of 247.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 63984257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).