N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine

C12H21NO2 — CID 115688380

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cc(C)oc1C
InChIInChI=1S/C12H21NO2/c1-9(5-6-14-4)13-8-12-7-10(2)15-11(12)3/h7,9,13H,5-6,8H2,1-4H3
InChIKeyKJOGRAPOWHHTAN-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.41
Rot. Bonds6

About N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine

N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine (PubChem CID 115688380) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
PubChem CID115688380
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cc(C)oc1C
InChIInChI=1S/C12H21NO2/c1-9(5-6-14-4)13-8-12-7-10(2)15-11(12)3/h7,9,13H,5-6,8H2,1-4H3
InChIKeyKJOGRAPOWHHTAN-UHFFFAOYSA-N
XLogP2.41
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
CID 115908910
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
N-[(2,5-dimethylfuran-3-yl)methyl]-1-methoxybutan-2-amine
CID 115876526
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 115632231
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine (CID 115688380) is N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine?
The InChIKey is KJOGRAPOWHHTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(5-6-14-4)13-8-12-7-10(2)15-11(12)3/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine?
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine has a molecular weight of 211.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 115688380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).