N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

C16H21NO2 — CID 43626292

IUPACN-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cc(C)ccc1OC
InChIInChI=1S/C16H21NO2/c1-5-17-16(15-9-7-12(3)19-15)13-10-11(2)6-8-14(13)18-4/h6-10,16-17H,5H2,1-4H3
InChIKeyHXIIFOFNZNRXLZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.60
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 43626292) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID43626292
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cc(C)ccc1OC
InChIInChI=1S/C16H21NO2/c1-5-17-16(15-9-7-12(3)19-15)13-10-11(2)6-8-14(13)18-4/h6-10,16-17H,5H2,1-4H3
InChIKeyHXIIFOFNZNRXLZ-UHFFFAOYSA-N
XLogP3.60
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81157380
N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 105033280
N-[(2,5-dimethylfuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 62303504
N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105144099
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 43626292) is N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(C)o1)c1cc(C)ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is HXIIFOFNZNRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-17-16(15-9-7-12(3)19-15)13-10-11(2)6-8-14(13)18-4/h6-10,16-17H,5H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 43626292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).