2-[4-[2-(methylamino)ethyl]phenyl]ethanol

C11H17NO — CID 84767968

IUPAC2-[4-[2-(methylamino)ethyl]phenyl]ethanol
SMILESCNCCc1ccc(CCO)cc1
InChIInChI=1S/C11H17NO/c1-12-8-6-10-2-4-11(5-3-10)7-9-13/h2-5,12-13H,6-9H2,1H3
InChIKeyYRBDUTQKJOQYKH-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.98
Rot. Bonds5

About 2-[4-[2-(methylamino)ethyl]phenyl]ethanol

2-[4-[2-(methylamino)ethyl]phenyl]ethanol (PubChem CID 84767968) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)ethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(methylamino)ethyl]phenyl]ethanol
PubChem CID84767968
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[4-[2-(methylamino)ethyl]phenyl]ethanol
SMILESCNCCc1ccc(CCO)cc1
InChIInChI=1S/C11H17NO/c1-12-8-6-10-2-4-11(5-3-10)7-9-13/h2-5,12-13H,6-9H2,1H3
InChIKeyYRBDUTQKJOQYKH-UHFFFAOYSA-N
XLogP0.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)ethyl]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(methylamino)ethyl]phenyl]ethanol (CID 84767968) is 2-[4-[2-(methylamino)ethyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(methylamino)ethyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(methylamino)ethyl]phenyl]ethanol is CNCCc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[2-(methylamino)ethyl]phenyl]ethanol?
The InChIKey is YRBDUTQKJOQYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-8-6-10-2-4-11(5-3-10)7-9-13/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 2-[4-[2-(methylamino)ethyl]phenyl]ethanol?
2-[4-[2-(methylamino)ethyl]phenyl]ethanol has a molecular weight of 179.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)ethyl]phenyl]ethanol is sourced from PubChem (CID 84767968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).