1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C13H15F6N — CID 103311719

IUPAC1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1cc(C)cc(C)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-7-4-8(2)6-9(5-7)10(20-3)11(12(14,15)16)13(17,18)19/h4-6,10-11,20H,1-3H3
InChIKeyMIGSUQGFQNRRTC-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.30
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311719) has the molecular formula C13H15F6N and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103311719
Molecular FormulaC13H15F6N
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1cc(C)cc(C)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-7-4-8(2)6-9(5-7)10(20-3)11(12(14,15)16)13(17,18)19/h4-6,10-11,20H,1-3H3
InChIKeyMIGSUQGFQNRRTC-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine
CID 80605156
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
1-(4-chloro-2,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309678
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312315
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 107476243
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
CID 139607359
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228
1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197545
1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 79703280
[3,3,3-trifluoro-1-(5-methylthiophen-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312828
2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 112575182

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103311719) is 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(c1cc(C)cc(C)c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is MIGSUQGFQNRRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N/c1-7-4-8(2)6-9(5-7)10(20-3)11(12(14,15)16)13(17,18)19/h4-6,10-11,20H,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).