4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C15H13F4N — CID 29299136

IUPAC4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCc1cc(F)ccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4N/c1-10-8-13(16)6-7-14(10)20-9-11-2-4-12(5-3-11)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyOIFGIKWQRWLRHA-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.77
Rot. Bonds3

About 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 29299136) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID29299136
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCc1cc(F)ccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4N/c1-10-8-13(16)6-7-14(10)20-9-11-2-4-12(5-3-11)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyOIFGIKWQRWLRHA-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
CID 115350196
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol
CID 162548053
N-[(3-bromo-4-chlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 83235362
2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 14098781

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 29299136) is 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is Cc1cc(F)ccc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is OIFGIKWQRWLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-10-8-13(16)6-7-14(10)20-9-11-2-4-12(5-3-11)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 283.27 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 29299136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).