N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline

C14H10BrF4N — CID 63463412

IUPACN-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCc1cccc(Br)c1
InChIInChI=1S/C14H10BrF4N/c15-11-3-1-2-9(6-11)8-20-13-7-10(14(17,18)19)4-5-12(13)16/h1-7,20H,8H2
InChIKeyOWKFFMMFUKCFHK-UHFFFAOYSA-N
MW348.14 g/mol
LogP5.22
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline

N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline (PubChem CID 63463412) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
PubChem CID63463412
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC NameN-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCc1cccc(Br)c1
InChIInChI=1S/C14H10BrF4N/c15-11-3-1-2-9(6-11)8-20-13-7-10(14(17,18)19)4-5-12(13)16/h1-7,20H,8H2
InChIKeyOWKFFMMFUKCFHK-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.14
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
2-bromo-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511612
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107303372
5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115526124
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
[3-[[2-bromo-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115512029
2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 69011759
5-bromo-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79978991

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline (CID 63463412) is N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline is Fc1ccc(C(F)(F)F)cc1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
The InChIKey is OWKFFMMFUKCFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-11-3-1-2-9(6-11)8-20-13-7-10(14(17,18)19)4-5-12(13)16/h1-7,20H,8H2.
What are the key properties of N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline has a molecular weight of 348.14 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63463412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).