N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine

C10H17NO2 — CID 62457855

IUPACN-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCNCc1occc1COC(C)C
InChIInChI=1S/C10H17NO2/c1-8(2)13-7-9-4-5-12-10(9)6-11-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyQFVGJCOHSRCJSV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine

N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine (PubChem CID 62457855) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
PubChem CID62457855
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCNCc1occc1COC(C)C
InChIInChI=1S/C10H17NO2/c1-8(2)13-7-9-4-5-12-10(9)6-11-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyQFVGJCOHSRCJSV-UHFFFAOYSA-N
XLogP1.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine (CID 62457855) is N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine is CNCc1occc1COC(C)C.
What is the InChIKey of N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine?
The InChIKey is QFVGJCOHSRCJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)13-7-9-4-5-12-10(9)6-11-3/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine?
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine has a molecular weight of 183.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62457855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).