4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine

C13H15F6N — CID 103311694

IUPAC4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1cccc(C)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-8-4-3-5-9(6-8)7-10(20-2)11(12(14,15)16)13(17,18)19/h3-6,10-11,20H,7H2,1-2H3
InChIKeyJVLVBXIGGSTSEZ-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.87
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine

4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103311694) has the molecular formula C13H15F6N and a molecular weight of 299.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103311694
Molecular FormulaC13H15F6N
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1cccc(C)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-8-4-3-5-9(6-8)7-10(20-2)11(12(14,15)16)13(17,18)19/h3-6,10-11,20H,7H2,1-2H3
InChIKeyJVLVBXIGGSTSEZ-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-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

1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
N-methyl-1-(3-methylphenyl)-3-methylsulfonylbutan-2-amine
CID 113422160
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 81155614
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
CID 105449360
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine (CID 103311694) is 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine is CNC(Cc1cccc(C)c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is JVLVBXIGGSTSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N/c1-8-4-3-5-9(6-8)7-10(20-2)11(12(14,15)16)13(17,18)19/h3-6,10-11,20H,7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine has a molecular weight of 299.26 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103311694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).