1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine

C15H14BrClFN — CID 106762319

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H14BrClFN/c1-9-5-3-4-6-10(9)15(19-2)11-7-8-12(16)13(17)14(11)18/h3-8,15,19H,1-2H3
InChIKeyUZUZLZUPSYTBCM-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.86
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine

1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 106762319) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID106762319
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H14BrClFN/c1-9-5-3-4-6-10(9)15(19-2)11-7-8-12(16)13(17)14(11)18/h3-8,15,19H,1-2H3
InChIKeyUZUZLZUPSYTBCM-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
CID 114024336
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine
CID 106764395
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 106764470
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 106764769
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 106764894
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 106764942
1-(2,5-dibromo-4-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477562

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine (CID 106762319) is 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1ccccc1C)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is UZUZLZUPSYTBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-5-3-4-6-10(9)15(19-2)11-7-8-12(16)13(17)14(11)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 342.64 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 106762319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).