3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine

C14H26N2O2 — CID 63007586

IUPAC3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN(C)CCCOC)c1
InChIInChI=1S/C14H26N2O2/c1-4-6-15-10-13-9-14(18-12-13)11-16(2)7-5-8-17-3/h9,12,15H,4-8,10-11H2,1-3H3
InChIKeyXHSQANFMZHVCLW-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.25
Rot. Bonds10

About 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine

3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 63007586) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID63007586
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN(C)CCCOC)c1
InChIInChI=1S/C14H26N2O2/c1-4-6-15-10-13-9-14(18-12-13)11-16(2)7-5-8-17-3/h9,12,15H,4-8,10-11H2,1-3H3
InChIKeyXHSQANFMZHVCLW-UHFFFAOYSA-N
XLogP2.25
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140120

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (CID 63007586) is 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1coc(CN(C)CCCOC)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XHSQANFMZHVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-6-15-10-13-9-14(18-12-13)11-16(2)7-5-8-17-3/h9,12,15H,4-8,10-11H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 254.37 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63007586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).