N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine

C8H13NO2 — CID 115258606

IUPACN-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
SMILESCOCNCc1ccc(C)o1
InChIInChI=1S/C8H13NO2/c1-7-3-4-8(11-7)5-9-6-10-2/h3-4,9H,5-6H2,1-2H3
InChIKeyVKMPRXKRPIXPCS-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.28
Rot. Bonds4

About N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine

N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine (PubChem CID 115258606) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
PubChem CID115258606
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
SMILESCOCNCc1ccc(C)o1
InChIInChI=1S/C8H13NO2/c1-7-3-4-8(11-7)5-9-6-10-2/h3-4,9H,5-6H2,1-2H3
InChIKeyVKMPRXKRPIXPCS-UHFFFAOYSA-N
XLogP1.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
(E)-3-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 107899890
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
CID 104644390
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471
2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 62523523
1-(2-methylcyclopropyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115594065
1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 106989853
methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247585
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine (CID 115258606) is N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine is COCNCc1ccc(C)o1.
What is the InChIKey of N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is VKMPRXKRPIXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-3-4-8(11-7)5-9-6-10-2/h3-4,9H,5-6H2,1-2H3.
What are the key properties of N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine?
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 155.20 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 115258606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).