2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine

C15H16ClFN2 — CID 114855242

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccccn1
InChIInChI=1S/C15H16ClFN2/c1-2-18-15(14-5-3-4-8-19-14)9-11-6-7-12(16)10-13(11)17/h3-8,10,15,18H,2,9H2,1H3
InChIKeyJWKBJDOVQJUWID-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine (PubChem CID 114855242) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
PubChem CID114855242
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccccn1
InChIInChI=1S/C15H16ClFN2/c1-2-18-15(14-5-3-4-8-19-14)9-11-6-7-12(16)10-13(11)17/h3-8,10,15,18H,2,9H2,1H3
InChIKeyJWKBJDOVQJUWID-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

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine (CID 114855242) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccccn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine?
The InChIKey is JWKBJDOVQJUWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-2-18-15(14-5-3-4-8-19-14)9-11-6-7-12(16)10-13(11)17/h3-8,10,15,18H,2,9H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine?
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-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-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 114855242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).