1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine

C15H14BrClFN — CID 60646445

IUPAC1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1F)Cc1ccccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-19(9-11-4-2-3-5-14(11)17)10-12-6-7-13(16)8-15(12)18/h2-8H,9-10H2,1H3
InChIKeyGCRZUETWLVZJIO-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine

1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine (PubChem CID 60646445) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
PubChem CID60646445
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1F)Cc1ccccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-19(9-11-4-2-3-5-14(11)17)10-12-6-7-13(16)8-15(12)18/h2-8H,9-10H2,1H3
InChIKeyGCRZUETWLVZJIO-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine (CID 60646445) is 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine is CN(Cc1ccc(Br)cc1F)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
The InChIKey is GCRZUETWLVZJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19(9-11-4-2-3-5-14(11)17)10-12-6-7-13(16)8-15(12)18/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 60646445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).