N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C16H21NO2 — CID 62453396

IUPACN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C16H21NO2/c1-4-17-10-14-7-8-15(19-14)11-18-16-9-12(2)5-6-13(16)3/h5-9,17H,4,10-11H2,1-3H3
InChIKeySYXQXMDJXHJXEX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.58
Rot. Bonds6

About N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62453396) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62453396
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C16H21NO2/c1-4-17-10-14-7-8-15(19-14)11-18-16-9-12(2)5-6-13(16)3/h5-9,17H,4,10-11H2,1-3H3
InChIKeySYXQXMDJXHJXEX-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-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

Related Compounds

N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62485481
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451647
N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62484481
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62453045
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 102980972

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62453396) is N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(COc2cc(C)ccc2C)o1.
What is the InChIKey of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is SYXQXMDJXHJXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-17-10-14-7-8-15(19-14)11-18-16-9-12(2)5-6-13(16)3/h5-9,17H,4,10-11H2,1-3H3.
What are the key properties of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62453396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).