2-methoxyethanamine;toluene

C10H17NO — CID 91320732

IUPAC2-methoxyethanamine;toluene
SMILESCOCCN.Cc1ccccc1
InChIInChI=1S/C7H8.C3H9NO/c1-7-5-3-2-4-6-7;1-5-3-2-4/h2-6H,1H3;2-4H2,1H3
InChIKeyFQPSSJIHMZHCCK-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds2

About 2-methoxyethanamine;toluene

2-methoxyethanamine;toluene (PubChem CID 91320732) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methoxyethanamine;toluene.

Molecular Properties

Compound Name2-methoxyethanamine;toluene
PubChem CID91320732
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methoxyethanamine;toluene
SMILESCOCCN.Cc1ccccc1
InChIInChI=1S/C7H8.C3H9NO/c1-7-5-3-2-4-6-7;1-5-3-2-4/h2-6H,1H3;2-4H2,1H3
InChIKeyFQPSSJIHMZHCCK-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanamine;toluene?
The IUPAC name of 2-methoxyethanamine;toluene (CID 91320732) is 2-methoxyethanamine;toluene.
What is the SMILES notation for 2-methoxyethanamine;toluene?
The canonical SMILES for 2-methoxyethanamine;toluene is COCCN.Cc1ccccc1.
What is the InChIKey of 2-methoxyethanamine;toluene?
The InChIKey is FQPSSJIHMZHCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H9NO/c1-7-5-3-2-4-6-7;1-5-3-2-4/h2-6H,1H3;2-4H2,1H3.
What are the key properties of 2-methoxyethanamine;toluene?
2-methoxyethanamine;toluene has a molecular weight of 167.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanamine;toluene is sourced from PubChem (CID 91320732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).