4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

C16H15BrF3N — CID 29016762

IUPAC4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCc1cc(Br)cc(C)c1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15BrF3N/c1-10-6-14(17)7-11(2)15(10)21-9-12-4-3-5-13(8-12)16(18,19)20/h3-8,21H,9H2,1-2H3
InChIKeyPFTLRKNDGWKVQK-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.70
Rot. Bonds3

About 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 29016762) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID29016762
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCc1cc(Br)cc(C)c1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15BrF3N/c1-10-6-14(17)7-11(2)15(10)21-9-12-4-3-5-13(8-12)16(18,19)20/h3-8,21H,9H2,1-2H3
InChIKeyPFTLRKNDGWKVQK-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992
3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 18922799
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
CID 54864255
3-[(4-bromo-2,6-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029133

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 29016762) is 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is Cc1cc(Br)cc(C)c1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is PFTLRKNDGWKVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-10-6-14(17)7-11(2)15(10)21-9-12-4-3-5-13(8-12)16(18,19)20/h3-8,21H,9H2,1-2H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 358.20 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 29016762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).