2-[2-(diethylamino)ethyl]phenol

C12H19NO — CID 54121427

IUPAC2-[2-(diethylamino)ethyl]phenol
SMILESCCN(CC)CCc1ccccc1O
InChIInChI=1S/C12H19NO/c1-3-13(4-2)10-9-11-7-5-6-8-12(11)14/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyNNYLKLLEEQUJGJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]phenol

2-[2-(diethylamino)ethyl]phenol (PubChem CID 54121427) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]phenol
PubChem CID54121427
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[2-(diethylamino)ethyl]phenol
SMILESCCN(CC)CCc1ccccc1O
InChIInChI=1S/C12H19NO/c1-3-13(4-2)10-9-11-7-5-6-8-12(11)14/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyNNYLKLLEEQUJGJ-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]phenol?
The IUPAC name of 2-[2-(diethylamino)ethyl]phenol (CID 54121427) is 2-[2-(diethylamino)ethyl]phenol.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]phenol?
The canonical SMILES for 2-[2-(diethylamino)ethyl]phenol is CCN(CC)CCc1ccccc1O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]phenol?
The InChIKey is NNYLKLLEEQUJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13(4-2)10-9-11-7-5-6-8-12(11)14/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethyl]phenol?
2-[2-(diethylamino)ethyl]phenol has a molecular weight of 193.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]phenol is sourced from PubChem (CID 54121427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).