1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine

C15H15ClF2N2 — CID 105105135

IUPAC1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccncc1Cl
InChIInChI=1S/C15H15ClF2N2/c1-2-20-15(12-5-6-19-9-13(12)16)8-10-7-11(17)3-4-14(10)18/h3-7,9,15,20H,2,8H2,1H3
InChIKeyBMZJORZJKXBSKD-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine

1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine (PubChem CID 105105135) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
PubChem CID105105135
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccncc1Cl
InChIInChI=1S/C15H15ClF2N2/c1-2-20-15(12-5-6-19-9-13(12)16)8-10-7-11(17)3-4-14(10)18/h3-7,9,15,20H,2,8H2,1H3
InChIKeyBMZJORZJKXBSKD-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 103052808
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374281
N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 102619227
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine (CID 105105135) is 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1F)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is BMZJORZJKXBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-2-20-15(12-5-6-19-9-13(12)16)8-10-7-11(17)3-4-14(10)18/h3-7,9,15,20H,2,8H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 296.75 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105105135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).