1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol

C13H21NO2 — CID 112508038

IUPAC1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCCCN(C)C)c1
InChIInChI=1S/C13H21NO2/c1-11(15)12-6-4-7-13(10-12)16-9-5-8-14(2)3/h4,6-7,10-11,15H,5,8-9H2,1-3H3
InChIKeyXQDOIFMGRUYBFW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds6

About 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol

1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol (PubChem CID 112508038) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
PubChem CID112508038
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCCCN(C)C)c1
InChIInChI=1S/C13H21NO2/c1-11(15)12-6-4-7-13(10-12)16-9-5-8-14(2)3/h4,6-7,10-11,15H,5,8-9H2,1-3H3
InChIKeyXQDOIFMGRUYBFW-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
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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Related Compounds

(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492
2-[3-[3-(dimethylamino)propoxy]phenyl]-N-hydroxy-2-phenylacetamide
CID 25155089
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanoic acid
CID 22680332
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol?
The IUPAC name of 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol (CID 112508038) is 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol is CC(O)c1cccc(OCCCN(C)C)c1.
What is the InChIKey of 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol?
The InChIKey is XQDOIFMGRUYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(15)12-6-4-7-13(10-12)16-9-5-8-14(2)3/h4,6-7,10-11,15H,5,8-9H2,1-3H3.
What are the key properties of 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol?
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol is sourced from PubChem (CID 112508038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).