N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine

C17H21FN2 — CID 79745845

IUPACN-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cn1)c1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-3-13-8-9-16(20-12-13)11-17(19-4-2)14-6-5-7-15(18)10-14/h5-10,12,17,19H,3-4,11H2,1-2H3
InChIKeyNNBRJDWMHQZSNQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.68
Rot. Bonds6

About N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine

N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 79745845) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine
PubChem CID79745845
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cn1)c1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-3-13-8-9-16(20-12-13)11-17(19-4-2)14-6-5-7-15(18)10-14/h5-10,12,17,19H,3-4,11H2,1-2H3
InChIKeyNNBRJDWMHQZSNQ-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79740670
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014457
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 79748137
[2-(5-ethyl-2-pyridinyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191623
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014661
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine (CID 79745845) is N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine is CCNC(Cc1ccc(CC)cn1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is NNBRJDWMHQZSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-13-8-9-16(20-12-13)11-17(19-4-2)14-6-5-7-15(18)10-14/h5-10,12,17,19H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine?
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 79745845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).