2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine

C15H16ClFN2 — CID 102618519

IUPAC2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1cccnc1
InChIInChI=1S/C15H16ClFN2/c1-2-19-15(11-4-3-7-18-10-11)9-12-8-13(17)5-6-14(12)16/h3-8,10,15,19H,2,9H2,1H3
InChIKeyMCBLEECRTSISRO-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine (PubChem CID 102618519) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
PubChem CID102618519
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1cccnc1
InChIInChI=1S/C15H16ClFN2/c1-2-19-15(11-4-3-7-18-10-11)9-12-8-13(17)5-6-14(12)16/h3-8,10,15,19H,2,9H2,1H3
InChIKeyMCBLEECRTSISRO-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
CID 114347672
[2-(2-chloro-5-fluorophenyl)-1-pyridin-3-ylethyl]hydrazine
CID 102623237
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 102622794
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine (CID 102618519) is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine is CCNC(Cc1cc(F)ccc1Cl)c1cccnc1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine?
The InChIKey is MCBLEECRTSISRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-2-19-15(11-4-3-7-18-10-11)9-12-8-13(17)5-6-14(12)16/h3-8,10,15,19H,2,9H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine?
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 102618519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).