1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile

C14H17FN2 — CID 115245457

IUPAC1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNCCc2ccccc2F)CCC1
InChIInChI=1S/C14H17FN2/c15-13-5-2-1-4-12(13)6-9-17-11-14(10-16)7-3-8-14/h1-2,4-5,17H,3,6-9,11H2
InChIKeyCJAMIHIIZVRIFZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.65
Rot. Bonds5

About 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile

1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245457) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245457
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNCCc2ccccc2F)CCC1
InChIInChI=1S/C14H17FN2/c15-13-5-2-1-4-12(13)6-9-17-11-14(10-16)7-3-8-14/h1-2,4-5,17H,3,6-9,11H2
InChIKeyCJAMIHIIZVRIFZ-UHFFFAOYSA-N
XLogP2.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242531
1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115248027
3-[[2-(2-bromophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248180
3,5-difluoro-4-[[2-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 107037514
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115249582
1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242451
2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile
CID 161142537
4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248609
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile (CID 115245457) is 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile is N#CC1(CNCCc2ccccc2F)CCC1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is CJAMIHIIZVRIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-13-5-2-1-4-12(13)6-9-17-11-14(10-16)7-3-8-14/h1-2,4-5,17H,3,6-9,11H2.
What are the key properties of 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile?
1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 232.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).