1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine

C14H23NO2 — CID 113230760

IUPAC1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C14H23NO2/c1-10-7-12(10)13-6-5-11(17-13)8-15-14(2,3)9-16-4/h5-6,10,12,15H,7-9H2,1-4H3
InChIKeyXXJQALVULLYMDH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.92
Rot. Bonds6

About 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine

1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 113230760) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine
PubChem CID113230760
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C14H23NO2/c1-10-7-12(10)13-6-5-11(17-13)8-15-14(2,3)9-16-4/h5-6,10,12,15H,7-9H2,1-4H3
InChIKeyXXJQALVULLYMDH-UHFFFAOYSA-N
XLogP2.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine (CID 113230760) is 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine is COCC(C)(C)NCc1ccc(C2CC2C)o1.
What is the InChIKey of 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is XXJQALVULLYMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-7-12(10)13-6-5-11(17-13)8-15-14(2,3)9-16-4/h5-6,10,12,15H,7-9H2,1-4H3.
What are the key properties of 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine?
1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 113230760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).