1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine

C16H21NO3 — CID 105029319

IUPAC1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine
SMILESCCOc1ccc(C(N)Cc2ccco2)cc1OCC
InChIInChI=1S/C16H21NO3/c1-3-18-15-8-7-12(10-16(15)19-4-2)14(17)11-13-6-5-9-20-13/h5-10,14H,3-4,11,17H2,1-2H3
InChIKeyXKNXSYQWLUOLHD-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.32
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine

1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine (PubChem CID 105029319) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine
PubChem CID105029319
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine
SMILESCCOc1ccc(C(N)Cc2ccco2)cc1OCC
InChIInChI=1S/C16H21NO3/c1-3-18-15-8-7-12(10-16(15)19-4-2)14(17)11-13-6-5-9-20-13/h5-10,14H,3-4,11,17H2,1-2H3
InChIKeyXKNXSYQWLUOLHD-UHFFFAOYSA-N
XLogP3.32
TPSA57.62 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331455
1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094403
1-(6-bromonaphthalen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029613
2-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105029210
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
2-(2-ethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 83974434
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
2-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791252
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine (CID 105029319) is 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine is CCOc1ccc(C(N)Cc2ccco2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine?
The InChIKey is XKNXSYQWLUOLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-18-15-8-7-12(10-16(15)19-4-2)14(17)11-13-6-5-9-20-13/h5-10,14H,3-4,11,17H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine?
1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).