N-methyl-2-(4-methylfuran-3-yl)ethanamine

C8H13NO — CID 82594034

IUPACN-methyl-2-(4-methylfuran-3-yl)ethanamine
SMILESCNCCc1cocc1C
InChIInChI=1S/C8H13NO/c1-7-5-10-6-8(7)3-4-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeyFLLKUSUJHORQPV-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-2-(4-methylfuran-3-yl)ethanamine

N-methyl-2-(4-methylfuran-3-yl)ethanamine (PubChem CID 82594034) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-2-(4-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylfuran-3-yl)ethanamine
PubChem CID82594034
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-methyl-2-(4-methylfuran-3-yl)ethanamine
SMILESCNCCc1cocc1C
InChIInChI=1S/C8H13NO/c1-7-5-10-6-8(7)3-4-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeyFLLKUSUJHORQPV-UHFFFAOYSA-N
XLogP1.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylfuran-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylfuran-3-yl)ethanamine (CID 82594034) is N-methyl-2-(4-methylfuran-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylfuran-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylfuran-3-yl)ethanamine is CNCCc1cocc1C.
What is the InChIKey of N-methyl-2-(4-methylfuran-3-yl)ethanamine?
The InChIKey is FLLKUSUJHORQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-5-10-6-8(7)3-4-9-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylfuran-3-yl)ethanamine?
N-methyl-2-(4-methylfuran-3-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 82594034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).