3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine

C11H16FNO — CID 11074351

IUPAC3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-13(2)8-3-9-14-11-6-4-10(12)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyOMBQJRJVRJSXEO-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.16
Rot. Bonds5

About 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine

3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine (PubChem CID 11074351) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine
PubChem CID11074351
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-13(2)8-3-9-14-11-6-4-10(12)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyOMBQJRJVRJSXEO-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine (CID 11074351) is 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine?
The InChIKey is OMBQJRJVRJSXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-13(2)8-3-9-14-11-6-4-10(12)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine?
3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 11074351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).