2-ethylphenol;N-methylmethanamine

C10H17NO — CID 118325670

IUPAC2-ethylphenol;N-methylmethanamine
SMILESCCc1ccccc1O.CNC
InChIInChI=1S/C8H10O.C2H7N/c1-2-7-5-3-4-6-8(7)9;1-3-2/h3-6,9H,2H2,1H3;3H,1-2H3
InChIKeyMTBNKKZPARIPEY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.79
Rot. Bonds1

About 2-ethylphenol;N-methylmethanamine

2-ethylphenol;N-methylmethanamine (PubChem CID 118325670) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-ethylphenol;N-methylmethanamine.

Molecular Properties

Compound Name2-ethylphenol;N-methylmethanamine
PubChem CID118325670
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-ethylphenol;N-methylmethanamine
SMILESCCc1ccccc1O.CNC
InChIInChI=1S/C8H10O.C2H7N/c1-2-7-5-3-4-6-8(7)9;1-3-2/h3-6,9H,2H2,1H3;3H,1-2H3
InChIKeyMTBNKKZPARIPEY-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylphenol;N-methylmethanamine?
The IUPAC name of 2-ethylphenol;N-methylmethanamine (CID 118325670) is 2-ethylphenol;N-methylmethanamine.
What is the SMILES notation for 2-ethylphenol;N-methylmethanamine?
The canonical SMILES for 2-ethylphenol;N-methylmethanamine is CCc1ccccc1O.CNC.
What is the InChIKey of 2-ethylphenol;N-methylmethanamine?
The InChIKey is MTBNKKZPARIPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C2H7N/c1-2-7-5-3-4-6-8(7)9;1-3-2/h3-6,9H,2H2,1H3;3H,1-2H3.
What are the key properties of 2-ethylphenol;N-methylmethanamine?
2-ethylphenol;N-methylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylphenol;N-methylmethanamine is sourced from PubChem (CID 118325670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).