4-[2-(methylamino)ethyl]phenol

C9H13NO — CID 9727

IUPAC4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1ccc(O)cc1
InChIInChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
InChIKeyAXVZFRBSCNEKPQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.15
Rot. Bonds3

About 4-[2-(methylamino)ethyl]phenol

4-[2-(methylamino)ethyl]phenol (PubChem CID 9727) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]phenol
PubChem CID9727
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1ccc(O)cc1
InChIInChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
InChIKeyAXVZFRBSCNEKPQ-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]phenol?
The IUPAC name of 4-[2-(methylamino)ethyl]phenol (CID 9727) is 4-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(methylamino)ethyl]phenol is CNCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(methylamino)ethyl]phenol?
The InChIKey is AXVZFRBSCNEKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]phenol?
4-[2-(methylamino)ethyl]phenol has a molecular weight of 151.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 9727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).