2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine

C9H15NO2 — CID 114820503

IUPAC2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
SMILESCOCCNCc1coc(C)c1
InChIInChI=1S/C9H15NO2/c1-8-5-9(7-12-8)6-10-3-4-11-2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyDEBWDLKUKFOFTO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.32
Rot. Bonds5

About 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine

2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 114820503) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID114820503
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
SMILESCOCCNCc1coc(C)c1
InChIInChI=1S/C9H15NO2/c1-8-5-9(7-12-8)6-10-3-4-11-2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyDEBWDLKUKFOFTO-UHFFFAOYSA-N
XLogP1.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820560
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104473
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820563
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine (CID 114820503) is 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine is COCCNCc1coc(C)c1.
What is the InChIKey of 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is DEBWDLKUKFOFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8-5-9(7-12-8)6-10-3-4-11-2/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine?
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 169.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 114820503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).