N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

C14H20F3N — CID 115853824

IUPACN,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(C)(C)C(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-5-13(2,3)12(18-4)10-8-6-7-9-11(10)14(15,16)17/h6-9,12,18H,5H2,1-4H3
InChIKeyOEEZYLZBKLKNDX-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.40
Rot. Bonds4

About N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 115853824) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID115853824
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(C)(C)C(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-5-13(2,3)12(18-4)10-8-6-7-9-11(10)14(15,16)17/h6-9,12,18H,5H2,1-4H3
InChIKeyOEEZYLZBKLKNDX-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine 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

N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 75518583
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine
CID 115859728
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
CID 115845337
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61078717
[2,2-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105286147
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (CID 115853824) is N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is CCC(C)(C)C(NC)c1ccccc1C(F)(F)F.
What is the InChIKey of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is OEEZYLZBKLKNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-5-13(2,3)12(18-4)10-8-6-7-9-11(10)14(15,16)17/h6-9,12,18H,5H2,1-4H3.
What are the key properties of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 115853824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).