N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C15H13BrF3N — CID 60700066

IUPACN-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H13BrF3N/c16-14-3-1-2-12(8-14)10-20-9-11-4-6-13(7-5-11)15(17,18)19/h1-8,20H,9-10H2
InChIKeyIMKUMORCAMHMLP-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.76
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 60700066) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID60700066
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H13BrF3N/c16-14-3-1-2-12(8-14)10-20-9-11-4-6-13(7-5-11)15(17,18)19/h1-8,20H,9-10H2
InChIKeyIMKUMORCAMHMLP-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
CID 115523883
3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 67186153
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
N-[(3-bromo-4-chlorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 83232273
2-bromo-6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
CID 62732578
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 60700066) is N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CNCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IMKUMORCAMHMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c16-14-3-1-2-12(8-14)10-20-9-11-4-6-13(7-5-11)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 344.17 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 60700066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).