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

C16H18ClFN2 — CID 105178864

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccc(C)nc1C
InChIInChI=1S/C16H18ClFN2/c1-10-7-8-13(11(2)20-10)15(19-3)9-12-5-4-6-14(18)16(12)17/h4-8,15,19H,9H2,1-3H3
InChIKeyRQWGBGKLJHJDFO-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.99
Rot. Bonds4

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

2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine (PubChem CID 105178864) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
PubChem CID105178864
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccc(C)nc1C
InChIInChI=1S/C16H18ClFN2/c1-10-7-8-13(11(2)20-10)15(19-3)9-12-5-4-6-14(18)16(12)17/h4-8,15,19H,9H2,1-3H3
InChIKeyRQWGBGKLJHJDFO-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-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 102866361
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine (CID 105178864) is 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)c1ccc(C)nc1C.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
The InChIKey is RQWGBGKLJHJDFO-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(18)16(12)17/h4-8,15,19H,9H2,1-3H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine?
2-(2-chloro-3-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-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105178864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).