2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile

C15H19FN2 — CID 107903846

IUPAC2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNC1CCCCCC1
InChIInChI=1S/C15H19FN2/c16-14-8-7-12(10-17)13(9-14)11-18-15-5-3-1-2-4-6-15/h7-9,15,18H,1-6,11H2
InChIKeyUNQLTODPPNEVCK-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.51
Rot. Bonds3

About 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile

2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile (PubChem CID 107903846) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
PubChem CID107903846
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNC1CCCCCC1
InChIInChI=1S/C15H19FN2/c16-14-8-7-12(10-17)13(9-14)11-18-15-5-3-1-2-4-6-15/h7-9,15,18H,1-6,11H2
InChIKeyUNQLTODPPNEVCK-UHFFFAOYSA-N
XLogP3.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-fluorobenzonitrile
CID 107904394
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-4-fluorobenzonitrile
CID 107903650
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
2-[(2,2-dicyclopropylethylamino)methyl]-4-fluorobenzonitrile
CID 107904450
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile
CID 135144381
3-[(cyclooctylamino)methyl]-4-fluorobenzonitrile
CID 28575792
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile
CID 107909308
2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
CID 107903904
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815

Frequently Asked Questions

What is the IUPAC name of 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile (CID 107903846) is 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1CNC1CCCCCC1.
What is the InChIKey of 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile?
The InChIKey is UNQLTODPPNEVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c16-14-8-7-12(10-17)13(9-14)11-18-15-5-3-1-2-4-6-15/h7-9,15,18H,1-6,11H2.
What are the key properties of 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile?
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 107903846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).