1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine

C15H19NO — CID 54979824

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H19NO/c1-10-4-6-13(7-5-10)9-15(16)14-8-11(2)17-12(14)3/h4-8,15H,9,16H2,1-3H3
InChIKeyGTEDOHFKLRZHOT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.45
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine

1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 54979824) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
PubChem CID54979824
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H19NO/c1-10-4-6-13(7-5-10)9-15(16)14-8-11(2)17-12(14)3/h4-8,15H,9,16H2,1-3H3
InChIKeyGTEDOHFKLRZHOT-UHFFFAOYSA-N
XLogP3.45
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran
CID 55222953
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran
CID 63543444
1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81473177
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine (CID 54979824) is 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2cc(C)oc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is GTEDOHFKLRZHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-4-6-13(7-5-10)9-15(16)14-8-11(2)17-12(14)3/h4-8,15H,9,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine?
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 54979824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).