1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

C15H25NO2 — CID 107093854

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCC2(C)CCOCC2)c(C)o1
InChIInChI=1S/C15H25NO2/c1-11-9-14(13(3)18-11)12(2)16-10-15(4)5-7-17-8-6-15/h9,12,16H,5-8,10H2,1-4H3
InChIKeySELWZRWSDCTUCR-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.36
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 107093854) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID107093854
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCC2(C)CCOCC2)c(C)o1
InChIInChI=1S/C15H25NO2/c1-11-9-14(13(3)18-11)12(2)16-10-15(4)5-7-17-8-6-15/h9,12,16H,5-8,10H2,1-4H3
InChIKeySELWZRWSDCTUCR-UHFFFAOYSA-N
XLogP3.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 107093854) is 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is Cc1cc(C(C)NCC2(C)CCOCC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is SELWZRWSDCTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-9-14(13(3)18-11)12(2)16-10-15(4)5-7-17-8-6-15/h9,12,16H,5-8,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 107093854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).