2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine

C15H16ClFN2 — CID 105190365

IUPAC2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1cccnc1C
InChIInChI=1S/C15H16ClFN2/c1-10-13(4-3-7-19-10)15(18-2)8-11-5-6-12(16)9-14(11)17/h3-7,9,15,18H,8H2,1-2H3
InChIKeyJSXKFPDIBLHWCQ-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine

2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 105190365) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID105190365
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1cccnc1C
InChIInChI=1S/C15H16ClFN2/c1-10-13(4-3-7-19-10)15(18-2)8-11-5-6-12(16)9-14(11)17/h3-7,9,15,18H,8H2,1-2H3
InChIKeyJSXKFPDIBLHWCQ-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105137291
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878077
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 105055263
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105055308
2-(4-chloro-2-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503685
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine
CID 103049000
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792155

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine (CID 105190365) is 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine is CNC(Cc1ccc(Cl)cc1F)c1cccnc1C.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is JSXKFPDIBLHWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-13(4-3-7-19-10)15(18-2)8-11-5-6-12(16)9-14(11)17/h3-7,9,15,18H,8H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine?
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.69, 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)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105190365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).