3-[2-(methylamino)ethoxy]phenol

C9H13NO2 — CID 83619980

IUPAC3-[2-(methylamino)ethoxy]phenol
SMILESCNCCOc1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-10-5-6-12-9-4-2-3-8(11)7-9/h2-4,7,10-11H,5-6H2,1H3
InChIKeyLNFWYCIZHUNEQP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.99
Rot. Bonds4

About 3-[2-(methylamino)ethoxy]phenol

3-[2-(methylamino)ethoxy]phenol (PubChem CID 83619980) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[2-(methylamino)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-(methylamino)ethoxy]phenol
PubChem CID83619980
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-[2-(methylamino)ethoxy]phenol
SMILESCNCCOc1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-10-5-6-12-9-4-2-3-8(11)7-9/h2-4,7,10-11H,5-6H2,1H3
InChIKeyLNFWYCIZHUNEQP-UHFFFAOYSA-N
XLogP0.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
3-(3-hydroxyphenoxy)propanal
CID 84765037
3-dodecoxyphenol
CID 15719132
3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-(3-fluorobutoxy)phenol
CID 84659596
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-[2-(2-methoxyphenoxy)ethoxy]phenol
CID 39360613

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethoxy]phenol?
The IUPAC name of 3-[2-(methylamino)ethoxy]phenol (CID 83619980) is 3-[2-(methylamino)ethoxy]phenol.
What is the SMILES notation for 3-[2-(methylamino)ethoxy]phenol?
The canonical SMILES for 3-[2-(methylamino)ethoxy]phenol is CNCCOc1cccc(O)c1.
What is the InChIKey of 3-[2-(methylamino)ethoxy]phenol?
The InChIKey is LNFWYCIZHUNEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-5-6-12-9-4-2-3-8(11)7-9/h2-4,7,10-11H,5-6H2,1H3.
What are the key properties of 3-[2-(methylamino)ethoxy]phenol?
3-[2-(methylamino)ethoxy]phenol has a molecular weight of 167.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethoxy]phenol is sourced from PubChem (CID 83619980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).