2-(diethylaminomethyl)phenol

C11H17NO — CID 21092

IUPAC2-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1ccccc1O
InChIInChI=1S/C11H17NO/c1-3-12(4-2)9-10-7-5-6-8-11(10)13/h5-8,13H,3-4,9H2,1-2H3
InChIKeyIGXXOUGMPVOZFH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.23
Rot. Bonds4

About 2-(diethylaminomethyl)phenol

2-(diethylaminomethyl)phenol (PubChem CID 21092) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(diethylaminomethyl)phenol.

Molecular Properties

Compound Name2-(diethylaminomethyl)phenol
PubChem CID21092
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1ccccc1O
InChIInChI=1S/C11H17NO/c1-3-12(4-2)9-10-7-5-6-8-11(10)13/h5-8,13H,3-4,9H2,1-2H3
InChIKeyIGXXOUGMPVOZFH-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)phenol?
The IUPAC name of 2-(diethylaminomethyl)phenol (CID 21092) is 2-(diethylaminomethyl)phenol.
What is the SMILES notation for 2-(diethylaminomethyl)phenol?
The canonical SMILES for 2-(diethylaminomethyl)phenol is CCN(CC)Cc1ccccc1O.
What is the InChIKey of 2-(diethylaminomethyl)phenol?
The InChIKey is IGXXOUGMPVOZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-12(4-2)9-10-7-5-6-8-11(10)13/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)phenol?
2-(diethylaminomethyl)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)phenol is sourced from PubChem (CID 21092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).