3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile

C15H19FN2O — CID 115248242

IUPAC3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-14(2,12-3-5-13(16)6-4-12)8-18-9-15(7-17)10-19-11-15/h3-6,18H,8-11H2,1-2H3
InChIKeyKSSUPMZLCSWNRJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.23
Rot. Bonds5

About 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile

3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248242) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile
PubChem CID115248242
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-14(2,12-3-5-13(16)6-4-12)8-18-9-15(7-17)10-19-11-15/h3-6,18H,8-11H2,1-2H3
InChIKeyKSSUPMZLCSWNRJ-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248256
3-[[2-(4-fluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248128
3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248258
3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115248027
3-[(2-chloro-5-fluoro-4-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247835
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115249649
3-[[(3,4-difluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247986
3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248124
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248148
3-[[2-(2,5-dimethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248127
2-(4-fluorophenyl)-2-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238209
3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248197

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile (CID 115248242) is 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile is CC(C)(CNCC1(C#N)COC1)c1ccc(F)cc1.
What is the InChIKey of 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile?
The InChIKey is KSSUPMZLCSWNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-14(2,12-3-5-13(16)6-4-12)8-18-9-15(7-17)10-19-11-15/h3-6,18H,8-11H2,1-2H3.
What are the key properties of 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile?
3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).