2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine

C10H21NO2 — CID 141125874

IUPAC2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine
SMILESCOCCN(C)CC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-11(5-8-12-2)9-10-3-6-13-7-4-10/h10H,3-9H2,1-2H3
InChIKeyVCMJHTVEHZLFAZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.99
Rot. Bonds5

About 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine

2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 141125874) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine
PubChem CID141125874
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine
SMILESCOCCN(C)CC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-11(5-8-12-2)9-10-3-6-13-7-4-10/h10H,3-9H2,1-2H3
InChIKeyVCMJHTVEHZLFAZ-UHFFFAOYSA-N
XLogP0.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine (CID 141125874) is 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine is COCCN(C)CC1CCOCC1.
What is the InChIKey of 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is VCMJHTVEHZLFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-11(5-8-12-2)9-10-3-6-13-7-4-10/h10H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 187.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 141125874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).