1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine

C15H12BrClF3N — CID 63416610

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H12BrClF3N/c1-21-14(9-3-2-4-11(17)7-9)12-6-5-10(16)8-13(12)15(18,19)20/h2-8,14,21H,1H3
InChIKeyIOQWGBWMVFUADK-UHFFFAOYSA-N
MW378.62 g/mol
LogP5.43
Rot. Bonds3

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine

1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 63416610) has the molecular formula C15H12BrClF3N and a molecular weight of 378.62 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID63416610
Molecular FormulaC15H12BrClF3N
Molecular Weight378.62 g/mol
Exact Mass376.98
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H12BrClF3N/c1-21-14(9-3-2-4-11(17)7-9)12-6-5-10(16)8-13(12)15(18,19)20/h2-8,14,21H,1H3
InChIKeyIOQWGBWMVFUADK-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine (CID 63416610) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is IOQWGBWMVFUADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF3N/c1-21-14(9-3-2-4-11(17)7-9)12-6-5-10(16)8-13(12)15(18,19)20/h2-8,14,21H,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 378.62 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63416610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).