3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile

C12H13FN2O — CID 115248027

IUPAC3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCc2ccccc2F)COC1
InChIInChI=1S/C12H13FN2O/c13-11-4-2-1-3-10(11)5-15-7-12(6-14)8-16-9-12/h1-4,15H,5,7-9H2
InChIKeyVPRIVMHXGZMIIZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.46
Rot. Bonds4

About 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile

3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile (PubChem CID 115248027) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
PubChem CID115248027
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCc2ccccc2F)COC1
InChIInChI=1S/C12H13FN2O/c13-11-4-2-1-3-10(11)5-15-7-12(6-14)8-16-9-12/h1-4,15H,5,7-9H2
InChIKeyVPRIVMHXGZMIIZ-UHFFFAOYSA-N
XLogP1.46
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3,4-difluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247986
3-[[2-(2-bromophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248180
1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245457
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247965
3-[[2-(4-fluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248128
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248148
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile
CID 115248242
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115249582

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile (CID 115248027) is 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile is N#CC1(CNCc2ccccc2F)COC1.
What is the InChIKey of 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile?
The InChIKey is VPRIVMHXGZMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-11-4-2-1-3-10(11)5-15-7-12(6-14)8-16-9-12/h1-4,15H,5,7-9H2.
What are the key properties of 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile?
3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).