2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine

C14H17NO2 — CID 114821216

IUPAC2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCOc1ccc(CC(N)c2coc(C)c2)cc1
InChIInChI=1S/C14H17NO2/c1-10-7-12(9-17-10)14(15)8-11-3-5-13(16-2)6-4-11/h3-7,9,14H,8,15H2,1-2H3
InChIKeyDPLULXXFIMBLKT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.84
Rot. Bonds4

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

2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 114821216) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
PubChem CID114821216
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCOc1ccc(CC(N)c2coc(C)c2)cc1
InChIInChI=1S/C14H17NO2/c1-10-7-12(9-17-10)14(15)8-11-3-5-13(16-2)6-4-11/h3-7,9,14H,8,15H2,1-2H3
InChIKeyDPLULXXFIMBLKT-UHFFFAOYSA-N
XLogP2.84
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
2-(furan-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 83175778
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 43093642
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
CID 96735872
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine (CID 114821216) is 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine is COc1ccc(CC(N)c2coc(C)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is DPLULXXFIMBLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-7-12(9-17-10)14(15)8-11-3-5-13(16-2)6-4-11/h3-7,9,14H,8,15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine?
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine has a molecular weight of 231.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 114821216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).