1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

C13H12ClFN2 — CID 79712635

IUPAC1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12ClFN2/c1-16-13(9-2-4-10(14)5-3-9)12-7-6-11(15)8-17-12/h2-8,13,16H,1H3
InChIKeyCDRVKUZQLBLIRG-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 79712635) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID79712635
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12ClFN2/c1-16-13(9-2-4-10(14)5-3-9)12-7-6-11(15)8-17-12/h2-8,13,16H,1H3
InChIKeyCDRVKUZQLBLIRG-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (CID 79712635) is 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1ccc(F)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is CDRVKUZQLBLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-16-13(9-2-4-10(14)5-3-9)12-7-6-11(15)8-17-12/h2-8,13,16H,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 250.70 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 79712635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).