2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C16H21NO2 — CID 65153486

IUPAC2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1c(C)oc(C)c1C
InChIInChI=1S/C16H21NO2/c1-10-11(2)19-12(3)16(10)14(17)9-13-7-5-6-8-15(13)18-4/h5-8,14H,9,17H2,1-4H3
InChIKeyIJYRFTSPWYRVSP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 65153486) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID65153486
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1c(C)oc(C)c1C
InChIInChI=1S/C16H21NO2/c1-10-11(2)19-12(3)16(10)14(17)9-13-7-5-6-8-15(13)18-4/h5-8,14H,9,17H2,1-4H3
InChIKeyIJYRFTSPWYRVSP-UHFFFAOYSA-N
XLogP3.46
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115809781
2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153343
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105107532
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 65153486) is 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is COc1ccccc1CC(N)c1c(C)oc(C)c1C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is IJYRFTSPWYRVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-11(2)19-12(3)16(10)14(17)9-13-7-5-6-8-15(13)18-4/h5-8,14H,9,17H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 65153486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).