2-[3-(dimethylamino)propoxy]phenol

C11H17NO2 — CID 18616274

IUPAC2-[3-(dimethylamino)propoxy]phenol
SMILESCN(C)CCCOc1ccccc1O
InChIInChI=1S/C11H17NO2/c1-12(2)8-5-9-14-11-7-4-3-6-10(11)13/h3-4,6-7,13H,5,8-9H2,1-2H3
InChIKeyRBUHQVVKEDDPLO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.72
Rot. Bonds5

About 2-[3-(dimethylamino)propoxy]phenol

2-[3-(dimethylamino)propoxy]phenol (PubChem CID 18616274) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]phenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]phenol
PubChem CID18616274
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[3-(dimethylamino)propoxy]phenol
SMILESCN(C)CCCOc1ccccc1O
InChIInChI=1S/C11H17NO2/c1-12(2)8-5-9-14-11-7-4-3-6-10(11)13/h3-4,6-7,13H,5,8-9H2,1-2H3
InChIKeyRBUHQVVKEDDPLO-UHFFFAOYSA-N
XLogP1.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]phenol?
The IUPAC name of 2-[3-(dimethylamino)propoxy]phenol (CID 18616274) is 2-[3-(dimethylamino)propoxy]phenol.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]phenol?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]phenol is CN(C)CCCOc1ccccc1O.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]phenol?
The InChIKey is RBUHQVVKEDDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(2)8-5-9-14-11-7-4-3-6-10(11)13/h3-4,6-7,13H,5,8-9H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propoxy]phenol?
2-[3-(dimethylamino)propoxy]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]phenol is sourced from PubChem (CID 18616274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).