1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C15H13BrF3N — CID 62801643

IUPAC1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1Br)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13BrF3N/c1-20-14(11-7-3-5-9-13(11)16)10-6-2-4-8-12(10)15(17,18)19/h2-9,14,20H,1H3
InChIKeyDLTVGRGCDPIEOE-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.78
Rot. Bonds3

About 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 62801643) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID62801643
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1Br)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13BrF3N/c1-20-14(11-7-3-5-9-13(11)16)10-6-2-4-8-12(10)15(17,18)19/h2-9,14,20H,1H3
InChIKeyDLTVGRGCDPIEOE-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65279026
1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 106691982
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025
1-(5-chloro-2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 114886168
1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990154
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61330734

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 62801643) is 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccccc1Br)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DLTVGRGCDPIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-20-14(11-7-3-5-9-13(11)16)10-6-2-4-8-12(10)15(17,18)19/h2-9,14,20H,1H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 344.17 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 62801643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).