3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine

C9H20FNO — CID 143182328

IUPAC3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCCC(F)(CCN(C)C)COC
InChIInChI=1S/C9H20FNO/c1-5-9(10,8-12-4)6-7-11(2)3/h5-8H2,1-4H3
InChIKeyIJIWTUXTNOKWLO-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.70
Rot. Bonds6

About 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine

3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine (PubChem CID 143182328) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine
PubChem CID143182328
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCCC(F)(CCN(C)C)COC
InChIInChI=1S/C9H20FNO/c1-5-9(10,8-12-4)6-7-11(2)3/h5-8H2,1-4H3
InChIKeyIJIWTUXTNOKWLO-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57580403
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4-Fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine
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1-(3-Fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine
CID 122544465
1-(2-Fluoro-2-methylpropyl)-4-(methoxymethyl)piperidine
CID 126749522
(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 156843552
4-(Ethoxymethyl)-4-fluoro-1-propylpiperidine
CID 156885484
4-Fluoro-4-(methoxymethyl)-1-propylpiperidine
CID 156885587
4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine
CID 166537460
4-Fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
4-(Dimethylamino)-2-ethyl-2-fluorobutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine (CID 143182328) is 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine is CCC(F)(CCN(C)C)COC.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The InChIKey is IJIWTUXTNOKWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-5-9(10,8-12-4)6-7-11(2)3/h5-8H2,1-4H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 143182328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).