2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine

C16H18ClFN2 — CID 102866361

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(C)nc1C
InChIInChI=1S/C16H18ClFN2/c1-10-7-8-13(11(2)20-10)15(19-3)9-12-5-4-6-14(17)16(12)18/h4-8,15,19H,9H2,1-3H3
InChIKeyNHQHLQPODYUKJA-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.99
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine

2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine (PubChem CID 102866361) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
PubChem CID102866361
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(C)nc1C
InChIInChI=1S/C16H18ClFN2/c1-10-7-8-13(11(2)20-10)15(19-3)9-12-5-4-6-14(17)16(12)18/h4-8,15,19H,9H2,1-3H3
InChIKeyNHQHLQPODYUKJA-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105178864
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 102857811
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450
5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
CID 82806067
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 82806793
2-(3-chloro-2-fluorophenyl)-1-(furan-3-yl)-N-methylethanamine
CID 82806792

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine (CID 102866361) is 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1F)c1ccc(C)nc1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
The InChIKey is NHQHLQPODYUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-10-7-8-13(11(2)20-10)15(19-3)9-12-5-4-6-14(17)16(12)18/h4-8,15,19H,9H2,1-3H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine has a molecular weight of 292.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 102866361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).