[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine

C11H15FN2O — CID 116944998

IUPAC[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine
SMILESNCC1(C(N)c2ccccc2F)COC1
InChIInChI=1S/C11H15FN2O/c12-9-4-2-1-3-8(9)10(14)11(5-13)6-15-7-11/h1-4,10H,5-7,13-14H2
InChIKeyCDVHUOGJAWCYJD-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.80
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine (PubChem CID 116944998) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine
PubChem CID116944998
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine
SMILESNCC1(C(N)c2ccccc2F)COC1
InChIInChI=1S/C11H15FN2O/c12-9-4-2-1-3-8(9)10(14)11(5-13)6-15-7-11/h1-4,10H,5-7,13-14H2
InChIKeyCDVHUOGJAWCYJD-UHFFFAOYSA-N
XLogP0.80
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine
CID 116945009
[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
CID 116944995
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyloxolan-3-amine
CID 63335288
[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116944912
(1R)-1-(2-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81379729
[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine
CID 116944962

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine (CID 116944998) is [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine is NCC1(C(N)c2ccccc2F)COC1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine?
The InChIKey is CDVHUOGJAWCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-9-4-2-1-3-8(9)10(14)11(5-13)6-15-7-11/h1-4,10H,5-7,13-14H2.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine has a molecular weight of 210.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine is sourced from PubChem (CID 116944998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).