[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine

C12H17FN2 — CID 79687629

IUPAC[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
SMILESCCC1CN(c2cccc(F)c2CN)C1
InChIInChI=1S/C12H17FN2/c1-2-9-7-15(8-9)12-5-3-4-11(13)10(12)6-14/h3-5,9H,2,6-8,14H2,1H3
InChIKeyBWSPGPVFOPZAEF-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.13
Rot. Bonds3

About [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine

[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine (PubChem CID 79687629) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
PubChem CID79687629
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
SMILESCCC1CN(c2cccc(F)c2CN)C1
InChIInChI=1S/C12H17FN2/c1-2-9-7-15(8-9)12-5-3-4-11(13)10(12)6-14/h3-5,9H,2,6-8,14H2,1H3
InChIKeyBWSPGPVFOPZAEF-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188
[2-(3-ethylazetidin-1-yl)phenyl]methanamine
CID 79676976
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
CID 83227227
[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]methanol
CID 114065244
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
CID 114879785
[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine
CID 79516544
1-[4-[2-(aminomethyl)-3-fluorophenyl]piperazin-1-yl]ethanone
CID 79516677
[2-(2-azaspiro[3.4]octan-2-yl)-6-fluorophenyl]methanamine
CID 79687416
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]methanamine
CID 79515492
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
1-[2-(aminomethyl)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691423

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine (CID 79687629) is [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine is CCC1CN(c2cccc(F)c2CN)C1.
What is the InChIKey of [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine?
The InChIKey is BWSPGPVFOPZAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-9-7-15(8-9)12-5-3-4-11(13)10(12)6-14/h3-5,9H,2,6-8,14H2,1H3.
What are the key properties of [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine?
[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine is sourced from PubChem (CID 79687629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).