N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine

C17H21FN2 — CID 105373892

IUPACN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cccc(C)n1
InChIInChI=1S/C17H21FN2/c1-4-19-17(16-7-5-6-13(3)20-16)11-14-10-15(18)9-8-12(14)2/h5-10,17,19H,4,11H2,1-3H3
InChIKeyCPXHWSOMVYMYSI-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.73
Rot. Bonds5

About N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine (PubChem CID 105373892) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
PubChem CID105373892
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cccc(C)n1
InChIInChI=1S/C17H21FN2/c1-4-19-17(16-7-5-6-13(3)20-16)11-14-10-15(18)9-8-12(14)2/h5-10,17,19H,4,11H2,1-3H3
InChIKeyCPXHWSOMVYMYSI-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 63554372
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
2-(3,4-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 82922139
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377494
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
N-[(5-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63555093
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374281
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine (CID 105373892) is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1cccc(C)n1.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
The InChIKey is CPXHWSOMVYMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-4-19-17(16-7-5-6-13(3)20-16)11-14-10-15(18)9-8-12(14)2/h5-10,17,19H,4,11H2,1-3H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine?
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 105373892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).