2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile

C15H19FN2 — CID 63667669

IUPAC2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
SMILESCN(c1ccc(F)cc1C#N)C1CCCCCC1
InChIInChI=1S/C15H19FN2/c1-18(14-6-4-2-3-5-7-14)15-9-8-13(16)10-12(15)11-17/h8-10,14H,2-7H2,1H3
InChIKeyOVXBILWFYCMZAQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.86
Rot. Bonds2

About 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile

2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile (PubChem CID 63667669) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
PubChem CID63667669
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
SMILESCN(c1ccc(F)cc1C#N)C1CCCCCC1
InChIInChI=1S/C15H19FN2/c1-18(14-6-4-2-3-5-7-14)15-9-8-13(16)10-12(15)11-17/h8-10,14H,2-7H2,1H3
InChIKeyOVXBILWFYCMZAQ-UHFFFAOYSA-N
XLogP3.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
CID 63668009
5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
CID 114890449
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile
CID 55232315
1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
CID 43176961
4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
CID 63093750
2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
2-[(4-aminocyclohexyl)-methylamino]-5-(trifluoromethyl)benzonitrile
CID 79113655
5-fluoro-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 63707524
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile (CID 63667669) is 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile is CN(c1ccc(F)cc1C#N)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile?
The InChIKey is OVXBILWFYCMZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-18(14-6-4-2-3-5-7-14)15-9-8-13(16)10-12(15)11-17/h8-10,14H,2-7H2,1H3.
What are the key properties of 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile?
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 63667669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).