1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine

C6H13FN2 — CID 163251926

IUPAC1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CN(C)C1
InChIInChI=1S/C6H13FN2/c1-8-3-6(7)4-9(2)5-6/h8H,3-5H2,1-2H3
InChIKeyJBFINUWQNXFYBS-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.14
Rot. Bonds2

About 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine

1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine (PubChem CID 163251926) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine
PubChem CID163251926
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CN(C)C1
InChIInChI=1S/C6H13FN2/c1-8-3-6(7)4-9(2)5-6/h8H,3-5H2,1-2H3
InChIKeyJBFINUWQNXFYBS-UHFFFAOYSA-N
XLogP-0.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Azetidin-3-ylmethyl)dimethylamine
CID 22174727
Methyl[(1-methylazetidin-3-yl)methyl]amine
CID 23153040
3-Fluoro-3-methylazetidine hydrochloride
CID 71757905
1-(3-Fluoroazetidin-3-yl)-N,N-dimethylmethanamine dihydrochloride
CID 177798170
(3-Fluoro-1-methyl-azetidin-3-yl)methanamine dihydrochloride
CID 177801508
3-Fluoro-3-methylazetidine
CID 71757906
1-(3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine
CID 89401815
3-(Fluoromethyl)-3-methylazetidine
CID 105426956
(3-Fluoro-1-methylazetidin-3-yl)methanamine
CID 118185504
(3-Fluoroazetidin-3-yl)methanamine
CID 118998287
(3-Fluoro-1-iodoazetidin-3-yl)methanamine
CID 122541313
2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 131045417

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine (CID 163251926) is 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine is CNCC1(F)CN(C)C1.
What is the InChIKey of 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine?
The InChIKey is JBFINUWQNXFYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-8-3-6(7)4-9(2)5-6/h8H,3-5H2,1-2H3.
What are the key properties of 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine?
1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine has a molecular weight of 132.18 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 163251926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).