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

C17H21FN2 — CID 79747809

IUPAC2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C17H21FN2/c1-4-13-5-7-15(20-11-13)10-17(19-3)14-6-8-16(18)12(2)9-14/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeyBOIDSDIURQSOQN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.59
Rot. Bonds5

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

2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (PubChem CID 79747809) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
PubChem CID79747809
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C17H21FN2/c1-4-13-5-7-15(20-11-13)10-17(19-3)14-6-8-16(18)12(2)9-14/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeyBOIDSDIURQSOQN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748694
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine
CID 79745845
1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014462
[1-(3,4-dichlorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105257061
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79732696

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (CID 79747809) is 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(F)c(C)c2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The InChIKey is BOIDSDIURQSOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-4-13-5-7-15(20-11-13)10-17(19-3)14-6-8-16(18)12(2)9-14/h5-9,11,17,19H,4,10H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 79747809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).