2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine

C15H17FN2 — CID 105174686

IUPAC2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cncc(F)c1
InChIInChI=1S/C15H17FN2/c1-10-4-3-5-11(2)14(10)7-15(17)12-6-13(16)9-18-8-12/h3-6,8-9,15H,7,17H2,1-2H3
InChIKeyCCANRYVLLTYXMC-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.08
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine

2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 105174686) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID105174686
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cncc(F)c1
InChIInChI=1S/C15H17FN2/c1-10-4-3-5-11(2)14(10)7-15(17)12-6-13(16)9-18-8-12/h3-6,8-9,15H,7,17H2,1-2H3
InChIKeyCCANRYVLLTYXMC-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105136122
[2-(2,6-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105209818
2-(2,6-difluorophenyl)-1-pyrimidin-5-ylethanamine
CID 115826917
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288165
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 65136425
2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82895312
1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine (CID 105174686) is 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine is Cc1cccc(C)c1CC(N)c1cncc(F)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is CCANRYVLLTYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-4-3-5-11(2)14(10)7-15(17)12-6-13(16)9-18-8-12/h3-6,8-9,15H,7,17H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine?
2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 244.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 105174686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).