N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine

C8H16FNO — CID 121357704

IUPACN-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1(F)COC1
InChIInChI=1S/C8H16FNO/c1-7(2)10(3)4-8(9)5-11-6-8/h7H,4-6H2,1-3H3
InChIKeyYSWURMZJDXYWOV-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds3

About N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine

N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine (PubChem CID 121357704) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine
PubChem CID121357704
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1(F)COC1
InChIInChI=1S/C8H16FNO/c1-7(2)10(3)4-8(9)5-11-6-8/h7H,4-6H2,1-3H3
InChIKeyYSWURMZJDXYWOV-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(3-methyloxetan-3-yl)ethyl]propan-2-amine
CID 145201975
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 157114602
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane
CID 159605123
N-[(3-iodothietan-3-yl)methyl]-N-methylpropan-2-amine
CID 139393601
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine
CID 157114604
N-[(3-ethylazetidin-3-yl)methyl]-N-methylpropan-2-amine
CID 165404355
4-[[methyl(propan-2-yl)amino]methyl]bicyclo[2.2.2]octan-1-amine
CID 139592834
[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976555
ethane;N-methyl-N-[2-(1-methylcyclopentyl)ethyl]propan-2-amine
CID 166552547
ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine
CID 169266137

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine (CID 121357704) is N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine is CC(C)N(C)CC1(F)COC1.
What is the InChIKey of N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is YSWURMZJDXYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2)10(3)4-8(9)5-11-6-8/h7H,4-6H2,1-3H3.
What are the key properties of N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine?
N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 121357704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).