4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

C16H15F4N — CID 43764950

IUPAC4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESCc1cc(F)ccc1NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F4N/c1-11-9-13(17)7-8-14(11)21-15(10-16(18,19)20)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3
InChIKeyZNCLUDJVPPVRRQ-UHFFFAOYSA-N
MW297.30 g/mol
LogP5.24
Rot. Bonds4

About 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (PubChem CID 43764950) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
PubChem CID43764950
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESCc1cc(F)ccc1NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F4N/c1-11-9-13(17)7-8-14(11)21-15(10-16(18,19)20)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3
InChIKeyZNCLUDJVPPVRRQ-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)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

Desipramine
CID 2995
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
2-Methylindoline
CID 23305
2,N-Dimethylaniline
CID 69137
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Benzenamine, N-ethyl-2-methyl-
CID 7201
Despropionyl meta-fluorofentanyl
CID 23741730
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
2-(Benzylamino)benzonitrile
CID 324787
N-benzyl-4-methylaniline
CID 79403
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (CID 43764950) is 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline is Cc1cc(F)ccc1NC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The InChIKey is ZNCLUDJVPPVRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-11-9-13(17)7-8-14(11)21-15(10-16(18,19)20)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline has a molecular weight of 297.30 g/mol, XLogP of 5.24, 4 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-(3,3,3-trifluoro-1-phenylpropyl)aniline is sourced from PubChem (CID 43764950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).