2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

C14H13ClF2N2 — CID 105190509

IUPAC2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1cncc(F)c1
InChIInChI=1S/C14H13ClF2N2/c1-18-14(10-4-12(16)8-19-7-10)5-9-2-3-11(15)6-13(9)17/h2-4,6-8,14,18H,5H2,1H3
InChIKeyJQKGHNXNJAYMKE-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (PubChem CID 105190509) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
PubChem CID105190509
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1cncc(F)c1
InChIInChI=1S/C14H13ClF2N2/c1-18-14(10-4-12(16)8-19-7-10)5-9-2-3-11(15)6-13(9)17/h2-4,6-8,14,18H,5H2,1H3
InChIKeyJQKGHNXNJAYMKE-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
2-(4-chloro-2-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503685
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878077
2-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106849054
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (CID 105190509) is 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1F)c1cncc(F)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The InChIKey is JQKGHNXNJAYMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-18-14(10-4-12(16)8-19-7-10)5-9-2-3-11(15)6-13(9)17/h2-4,6-8,14,18H,5H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine has a molecular weight of 282.72 g/mol, XLogP of 3.52, 4 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)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105190509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).