3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine

C7H16FNO — CID 156860918

IUPAC3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOCCF
InChIInChI=1S/C7H16FNO/c1-9(2)5-3-6-10-7-4-8/h3-7H2,1-2H3
InChIKeyTWRSBTDLMKFECB-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.92
Rot. Bonds6

About 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine

3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine (PubChem CID 156860918) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
PubChem CID156860918
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOCCF
InChIInChI=1S/C7H16FNO/c1-9(2)5-3-6-10-7-4-8/h3-7H2,1-2H3
InChIKeyTWRSBTDLMKFECB-UHFFFAOYSA-N
XLogP0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
1-Propanamine, 3,3'-oxybis[N,N-dimethyl-
CID 12295923
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
Trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 46900
3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
1-(3-Ethoxypropyl)-3-fluoroazetidine
CID 118973290
1-(fluoromethoxy)-N,N-dimethylbutan-1-amine
CID 142468528
N-ethyl-3-(1-fluoropropoxy)-N,2-dimethylpropan-1-amine
CID 144384726
3-ethoxy-N-ethyl-N-fluoropropan-1-amine
CID 153753202
3-ethoxy-N-fluoro-N-methylpropan-1-amine
CID 154509635
3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine
CID 155307656

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine (CID 156860918) is 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine is CN(C)CCCOCCF.
What is the InChIKey of 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine?
The InChIKey is TWRSBTDLMKFECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-9(2)5-3-6-10-7-4-8/h3-7H2,1-2H3.
What are the key properties of 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine?
3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 156860918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).