1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine

C16H21NO3 — CID 62442170

IUPAC1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCCOc1cccc(OCc2cc(CNC)c(C)o2)c1
InChIInChI=1S/C16H21NO3/c1-4-18-14-6-5-7-15(9-14)19-11-16-8-13(10-17-3)12(2)20-16/h5-9,17H,4,10-11H2,1-3H3
InChIKeyJZXFAKQAOSNTKU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.29
Rot. Bonds7

About 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine

1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 62442170) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID62442170
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCCOc1cccc(OCc2cc(CNC)c(C)o2)c1
InChIInChI=1S/C16H21NO3/c1-4-18-14-6-5-7-15(9-14)19-11-16-8-13(10-17-3)12(2)20-16/h5-9,17H,4,10-11H2,1-3H3
InChIKeyJZXFAKQAOSNTKU-UHFFFAOYSA-N
XLogP3.29
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine 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

1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62453245
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62486591
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
1-[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62453040
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077
1-[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 81326004
N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine
CID 76943559
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62440838
N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine
CID 62457187

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (CID 62442170) is 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is CCOc1cccc(OCc2cc(CNC)c(C)o2)c1.
What is the InChIKey of 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is JZXFAKQAOSNTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-18-14-6-5-7-15(9-14)19-11-16-8-13(10-17-3)12(2)20-16/h5-9,17H,4,10-11H2,1-3H3.
What are the key properties of 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62442170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).