N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

C16H21NO2 — CID 105022297

IUPACN-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1ccc(C)o1
InChIInChI=1S/C16H21NO2/c1-4-17-16(15-10-9-12(3)19-15)13-7-6-8-14(11-13)18-5-2/h6-11,16-17H,4-5H2,1-3H3
InChIKeyMFIHWWJIQNQQFN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.69
Rot. Bonds6

About N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 105022297) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID105022297
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1ccc(C)o1
InChIInChI=1S/C16H21NO2/c1-4-17-16(15-10-9-12(3)19-15)13-7-6-8-14(11-13)18-5-2/h6-11,16-17H,4-5H2,1-3H3
InChIKeyMFIHWWJIQNQQFN-UHFFFAOYSA-N
XLogP3.69
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 105022297) is N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)c1ccc(C)o1.
What is the InChIKey of N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is MFIHWWJIQNQQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-17-16(15-10-9-12(3)19-15)13-7-6-8-14(11-13)18-5-2/h6-11,16-17H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 105022297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).