N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

C15H14BrClFN — CID 60643800

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrClFN/c1-19(9-11-3-2-4-14(17)7-11)10-12-5-6-13(16)8-15(12)18/h2-8H,9-10H2,1H3
InChIKeyKQKLRCOERLUUIU-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.87
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 60643800) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID60643800
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrClFN/c1-19(9-11-3-2-4-14(17)7-11)10-12-5-6-13(16)8-15(12)18/h2-8H,9-10H2,1H3
InChIKeyKQKLRCOERLUUIU-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 N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (CID 60643800) is N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is CN(Cc1cccc(Cl)c1)Cc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is KQKLRCOERLUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19(9-11-3-2-4-14(17)7-11)10-12-5-6-13(16)8-15(12)18/h2-8H,9-10H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-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 N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 60643800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).