3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline

C14H10BrClF3N — CID 65491991

IUPAC3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)cc(NCc2cccc(Cl)c2)c1
InChIInChI=1S/C14H10BrClF3N/c15-11-5-10(14(17,18)19)6-13(7-11)20-8-9-2-1-3-12(16)4-9/h1-7,20H,8H2
InChIKeyQUISMVIABVIUBO-UHFFFAOYSA-N
MW364.59 g/mol
LogP5.73
Rot. Bonds3

About 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline

3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 65491991) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID65491991
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)cc(NCc2cccc(Cl)c2)c1
InChIInChI=1S/C14H10BrClF3N/c15-11-5-10(14(17,18)19)6-13(7-11)20-8-9-2-1-3-12(16)4-9/h1-7,20H,8H2
InChIKeyQUISMVIABVIUBO-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286219
3-bromo-N-(thiophen-3-ylmethyl)-5-(trifluoromethyl)aniline
CID 65489410
2-[[3-bromo-5-(trifluoromethyl)anilino]methyl]-6-fluorophenol
CID 115951715
3-bromo-N-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 65491586
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-5-(trifluoromethyl)aniline
CID 65491000
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
N-[(2-aminophenyl)methyl]-3-bromo-5-(trifluoromethyl)aniline
CID 66418278
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-5-(trifluoromethyl)aniline
CID 116698872
4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 65436509
1-N-[(3-chlorophenyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62537577
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 65491992
3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline (CID 65491991) is 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)cc(NCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is QUISMVIABVIUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-11-5-10(14(17,18)19)6-13(7-11)20-8-9-2-1-3-12(16)4-9/h1-7,20H,8H2.
What are the key properties of 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline?
3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 364.59 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 65491991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).