2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile

C15H19FN2 — CID 61412971

IUPAC2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile
SMILESCN(Cc1ccc(F)cc1)C1CCCCC1C#N
InChIInChI=1S/C15H19FN2/c1-18(11-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)10-17/h6-9,13,15H,2-5,11H2,1H3
InChIKeyHMLAUCDWSDNYCF-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.34
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile

2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile (PubChem CID 61412971) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile
PubChem CID61412971
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile
SMILESCN(Cc1ccc(F)cc1)C1CCCCC1C#N
InChIInChI=1S/C15H19FN2/c1-18(11-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)10-17/h6-9,13,15H,2-5,11H2,1H3
InChIKeyHMLAUCDWSDNYCF-UHFFFAOYSA-N
XLogP3.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile (CID 61412971) is 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile is CN(Cc1ccc(F)cc1)C1CCCCC1C#N.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile?
The InChIKey is HMLAUCDWSDNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-18(11-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)10-17/h6-9,13,15H,2-5,11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile?
2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 61412971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).