2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine

C14H14ClFN2 — CID 79734364

IUPAC2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ncc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H14ClFN2/c1-17-13(10-5-3-2-4-6-10)8-14-12(16)7-11(15)9-18-14/h2-7,9,13,17H,8H2,1H3
InChIKeyUYTIWNKOICKGBQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.38
Rot. Bonds4

About 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine

2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine (PubChem CID 79734364) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine
PubChem CID79734364
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ncc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H14ClFN2/c1-17-13(10-5-3-2-4-6-10)8-14-12(16)7-11(15)9-18-14/h2-7,9,13,17H,8H2,1H3
InChIKeyUYTIWNKOICKGBQ-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine (CID 79734364) is 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine is CNC(Cc1ncc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine?
The InChIKey is UYTIWNKOICKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-17-13(10-5-3-2-4-6-10)8-14-12(16)7-11(15)9-18-14/h2-7,9,13,17H,8H2,1H3.
What are the key properties of 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine?
2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 79734364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).