4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine

C13H23NO2 — CID 105054890

IUPAC4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1coc(C)c1
InChIInChI=1S/C13H23NO2/c1-4-7-14-13(6-5-8-15-3)12-9-11(2)16-10-12/h9-10,13-14H,4-8H2,1-3H3
InChIKeyYRMIRCGDUYMZNQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.06
Rot. Bonds8

About 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine

4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine (PubChem CID 105054890) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
PubChem CID105054890
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1coc(C)c1
InChIInChI=1S/C13H23NO2/c1-4-7-14-13(6-5-8-15-3)12-9-11(2)16-10-12/h9-10,13-14H,4-8H2,1-3H3
InChIKeyYRMIRCGDUYMZNQ-UHFFFAOYSA-N
XLogP3.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine 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-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
CID 105055011
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
CID 115831656
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 105055041
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
CID 115814330
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
1-(3-chloro-4-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 115608743
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
CID 115846501
N-methyl-1-(5-methylfuran-3-yl)nonan-1-amine
CID 115835205
4-methoxy-1-(2,3,4,5,6-pentafluorophenyl)-N-propylbutan-1-amine
CID 105054797

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine (CID 105054890) is 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine is CCCNC(CCCOC)c1coc(C)c1.
What is the InChIKey of 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine?
The InChIKey is YRMIRCGDUYMZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-7-14-13(6-5-8-15-3)12-9-11(2)16-10-12/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine?
4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105054890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).