(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium

C15H18FN2+ — CID 5220542

IUPAC(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
SMILESC[NH+](CCc1ccccn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13/h2-8,10H,9,11-12H2,1H3/p+1
InChIKeySCFVHYNTNIGMHD-UHFFFAOYSA-O
MW245.32 g/mol
LogP1.48
Rot. Bonds5

About (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium

(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium (PubChem CID 5220542) has the molecular formula C15H18FN2+ and a molecular weight of 245.32 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
PubChem CID5220542
Molecular FormulaC15H18FN2+
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
SMILESC[NH+](CCc1ccccn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13/h2-8,10H,9,11-12H2,1H3/p+1
InChIKeySCFVHYNTNIGMHD-UHFFFAOYSA-O
XLogP1.48
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl-(2-phenylethyl)-(pyridin-2-ylmethyl)azanium
CID 6938055
(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 4582205
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate
CID 29052902
cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 4741246
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
1-[2-(4-fluorophenyl)ethyl]-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 75382354
1-[(4-fluorophenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969505
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
2-(2-fluoroethyl)pyridine
CID 23246235

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
The IUPAC name of (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium (CID 5220542) is (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium.
What is the SMILES notation for (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
The canonical SMILES for (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium is C[NH+](CCc1ccccn1)Cc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
The InChIKey is SCFVHYNTNIGMHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17FN2/c1-18(11-9-15-4-2-3-10-17-15)12-13-5-7-14(16)8-6-13/h2-8,10H,9,11-12H2,1H3/p+1.
What are the key properties of (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium has a molecular weight of 245.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium is sourced from PubChem (CID 5220542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).