N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine

C16H21NO — CID 55061507

IUPACN-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccc(CC)o1
InChIInChI=1S/C16H21NO/c1-4-14-10-11-15(18-14)16(17-5-2)13-8-6-12(3)7-9-13/h6-11,16-17H,4-5H2,1-3H3
InChIKeyVGFIGFWKXWHXCU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.85
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine

N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 55061507) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
PubChem CID55061507
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccc(CC)o1
InChIInChI=1S/C16H21NO/c1-4-14-10-11-15(18-14)16(17-5-2)13-8-6-12(3)7-9-13/h6-11,16-17H,4-5H2,1-3H3
InChIKeyVGFIGFWKXWHXCU-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346595
N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 114249078
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
N-[(5-ethylfuran-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 62346411
N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62346589
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 65308243
N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79096339
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine (CID 55061507) is N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1ccc(CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is VGFIGFWKXWHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-14-10-11-15(18-14)16(17-5-2)13-8-6-12(3)7-9-13/h6-11,16-17H,4-5H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine?
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 55061507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).