N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine

C18H23FN2 — CID 105374281

IUPACN-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1ccncc1CC
InChIInChI=1S/C18H23FN2/c1-4-14-12-20-9-8-17(14)18(21-5-2)11-15-10-16(19)7-6-13(15)3/h6-10,12,18,21H,4-5,11H2,1-3H3
InChIKeyRELPHXHCQXTBHM-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.98
Rot. Bonds6

About N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine

N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105374281) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105374281
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1ccncc1CC
InChIInChI=1S/C18H23FN2/c1-4-14-12-20-9-8-17(14)18(21-5-2)11-15-10-16(19)7-6-13(15)3/h6-10,12,18,21H,4-5,11H2,1-3H3
InChIKeyRELPHXHCQXTBHM-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 105374183
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
CID 114347672
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 105373892
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine
CID 105406867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105374281) is N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1ccncc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is RELPHXHCQXTBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-14-12-20-9-8-17(14)18(21-5-2)11-15-10-16(19)7-6-13(15)3/h6-10,12,18,21H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 286.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105374281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).