N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C17H22FNO2 — CID 115829659

IUPACN-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1ccc(CC)o1
InChIInChI=1S/C17H22FNO2/c1-4-13-7-9-17(21-13)15(19-5-2)11-12-6-8-16(20-3)14(18)10-12/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyKKAYMWMCOQZRAP-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.88
Rot. Bonds7

About N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 115829659) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID115829659
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1ccc(CC)o1
InChIInChI=1S/C17H22FNO2/c1-4-13-7-9-17(21-13)15(19-5-2)11-12-6-8-16(20-3)14(18)10-12/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyKKAYMWMCOQZRAP-UHFFFAOYSA-N
XLogP3.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylfuran-2-yl)-2-(4-ethylphenyl)ethanamine
CID 115803280
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105121981
N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 107892231
1-(2-chlorophenyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62604347
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
CID 115829862
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105122565
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 115829659) is N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)c(F)c1)c1ccc(CC)o1.
What is the InChIKey of N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is KKAYMWMCOQZRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-4-13-7-9-17(21-13)15(19-5-2)11-12-6-8-16(20-3)14(18)10-12/h6-10,15,19H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 291.37 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115829659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).