2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C14H10Br2F3N — CID 43736693

IUPAC2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccc(CNc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H10Br2F3N/c15-11-5-6-12(16)13(7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyBMITWHPZRKBNDS-UHFFFAOYSA-N
MW409.04 g/mol
LogP5.84
Rot. Bonds3

About 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 43736693) has the molecular formula C14H10Br2F3N and a molecular weight of 409.04 g/mol. Its IUPAC name is 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID43736693
Molecular FormulaC14H10Br2F3N
Molecular Weight409.04 g/mol
Exact Mass406.91
IUPAC Name2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccc(CNc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H10Br2F3N/c15-11-5-6-12(16)13(7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyBMITWHPZRKBNDS-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.04
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 28993149
2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 107633013
4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032919
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 60790628

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 43736693) is 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1ccc(CNc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is BMITWHPZRKBNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3N/c15-11-5-6-12(16)13(7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 409.04 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 43736693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).