1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine

C15H15BrClFN2 — CID 106764395

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)nc1C)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H15BrClFN2/c1-8-4-5-10(9(2)20-8)15(19-3)11-6-7-12(16)13(17)14(11)18/h4-7,15,19H,1-3H3
InChIKeyDUYSNLYRGBWRHG-UHFFFAOYSA-N
MW357.65 g/mol
LogP4.56
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine (PubChem CID 106764395) has the molecular formula C15H15BrClFN2 and a molecular weight of 357.65 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine
PubChem CID106764395
Molecular FormulaC15H15BrClFN2
Molecular Weight357.65 g/mol
Exact Mass356.01
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)nc1C)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H15BrClFN2/c1-8-4-5-10(9(2)20-8)15(19-3)11-6-7-12(16)13(17)14(11)18/h4-7,15,19H,1-3H3
InChIKeyDUYSNLYRGBWRHG-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.65
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106762319
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 106764470
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 106764894
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 106764769
1-(2,6-dimethyl-3-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143162
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 106764942
[(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
CID 106765502
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2,3-trimethylbutan-1-amine
CID 106764622
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 106762425
[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106765432
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine (CID 106764395) is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine is CNC(c1ccc(C)nc1C)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine?
The InChIKey is DUYSNLYRGBWRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2/c1-8-4-5-10(9(2)20-8)15(19-3)11-6-7-12(16)13(17)14(11)18/h4-7,15,19H,1-3H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine has a molecular weight of 357.65 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 106764395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).