3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile

C14H17FN2O — CID 115248197

IUPAC3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
SMILESCN(CCc1ccc(F)cc1)CC1(C#N)COC1
InChIInChI=1S/C14H17FN2O/c1-17(9-14(8-16)10-18-11-14)7-6-12-2-4-13(15)5-3-12/h2-5H,6-7,9-11H2,1H3
InChIKeyQFSQYEDHWSEYKH-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.84
Rot. Bonds5

About 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile

3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile (PubChem CID 115248197) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
PubChem CID115248197
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
SMILESCN(CCc1ccc(F)cc1)CC1(C#N)COC1
InChIInChI=1S/C14H17FN2O/c1-17(9-14(8-16)10-18-11-14)7-6-12-2-4-13(15)5-3-12/h2-5H,6-7,9-11H2,1H3
InChIKeyQFSQYEDHWSEYKH-UHFFFAOYSA-N
XLogP1.84
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248223
3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248060
3-[[2-(5-bromothiophen-2-yl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248203
3-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248057
3-[[2-(4-fluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248128
1-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245491
1-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242583
1-[[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242579
3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248232
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
3-[(N,4-dimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247842
3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247892

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile (CID 115248197) is 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile is CN(CCc1ccc(F)cc1)CC1(C#N)COC1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
The InChIKey is QFSQYEDHWSEYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17(9-14(8-16)10-18-11-14)7-6-12-2-4-13(15)5-3-12/h2-5H,6-7,9-11H2,1H3.
What are the key properties of 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile has a molecular weight of 248.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).