N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine

C15H16ClFN2O — CID 83069768

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H16ClFN2O/c1-3-20-15-14(5-4-8-18-15)19-10(2)11-6-7-12(16)13(17)9-11/h4-10,19H,3H2,1-2H3
InChIKeyHIYQPRAAGXFVSJ-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.45
Rot. Bonds5

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine (PubChem CID 83069768) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine
PubChem CID83069768
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H16ClFN2O/c1-3-20-15-14(5-4-8-18-15)19-10(2)11-6-7-12(16)13(17)9-11/h4-10,19H,3H2,1-2H3
InChIKeyHIYQPRAAGXFVSJ-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706283
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706442
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102848913
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxypyridin-3-amine
CID 83075504
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
2-ethoxy-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43706285
N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721804
N-[1-(4-chloro-3-fluorophenyl)ethyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 83068901
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
CID 83069552

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine (CID 83069768) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine is CCOc1ncccc1NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine?
The InChIKey is HIYQPRAAGXFVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-3-20-15-14(5-4-8-18-15)19-10(2)11-6-7-12(16)13(17)9-11/h4-10,19H,3H2,1-2H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine has a molecular weight of 294.76 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine is sourced from PubChem (CID 83069768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).