2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine

C16H18ClFN2 — CID 103052866

IUPAC2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1ccc(C)nc1
InChIInChI=1S/C16H18ClFN2/c1-3-19-16(12-5-4-11(2)20-10-12)9-13-8-14(17)6-7-15(13)18/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyFWCIZTXSBOBPPF-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.08
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine

2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 103052866) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID103052866
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1ccc(C)nc1
InChIInChI=1S/C16H18ClFN2/c1-3-19-16(12-5-4-11(2)20-10-12)9-13-8-14(17)6-7-15(13)18/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyFWCIZTXSBOBPPF-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155781
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103048649
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine
CID 103048972
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
1-(3-bromo-2-pyridinyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049088
[2-(5-chloro-2-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105297549
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103053015
2-(2,6-dimethylphenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105174614
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 103052866) is 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine is CCNC(Cc1cc(Cl)ccc1F)c1ccc(C)nc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is FWCIZTXSBOBPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-19-16(12-5-4-11(2)20-10-12)9-13-8-14(17)6-7-15(13)18/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 292.79 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 103052866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).