2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile

C15H19FN2 — CID 103760538

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
SMILESCN(Cc1cc(F)ccc1C#N)C1CCCCC1
InChIInChI=1S/C15H19FN2/c1-18(15-5-3-2-4-6-15)11-13-9-14(16)8-7-12(13)10-17/h7-9,15H,2-6,11H2,1H3
InChIKeyODWOHYIRHGXEQL-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.46
Rot. Bonds3

About 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile

2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile (PubChem CID 103760538) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
PubChem CID103760538
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
SMILESCN(Cc1cc(F)ccc1C#N)C1CCCCC1
InChIInChI=1S/C15H19FN2/c1-18(15-5-3-2-4-6-15)11-13-9-14(16)8-7-12(13)10-17/h7-9,15H,2-6,11H2,1H3
InChIKeyODWOHYIRHGXEQL-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 107902822
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018
4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669
2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760699
4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846
2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile
CID 107909308
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
4-[[cycloheptyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481012
2-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-4-fluorobenzonitrile
CID 106632757

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile (CID 103760538) is 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile is CN(Cc1cc(F)ccc1C#N)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile?
The InChIKey is ODWOHYIRHGXEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-18(15-5-3-2-4-6-15)11-13-9-14(16)8-7-12(13)10-17/h7-9,15H,2-6,11H2,1H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile?
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 103760538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).