1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C13H15F6N — CID 103309571

IUPAC1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCCc1ccc(C(NC)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F6N/c1-3-8-4-6-9(7-5-8)10(20-2)11(12(14,15)16)13(17,18)19/h4-7,10-11,20H,3H2,1-2H3
InChIKeyKOBJERCTTAYHJW-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309571) has the molecular formula C13H15F6N and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103309571
Molecular FormulaC13H15F6N
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCCc1ccc(C(NC)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F6N/c1-3-8-4-6-9(7-5-8)10(20-2)11(12(14,15)16)13(17,18)19/h4-7,10-11,20H,3H2,1-2H3
InChIKeyKOBJERCTTAYHJW-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43484643
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 82004948
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982925
1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311719
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 63467800
3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine
CID 134316625
2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
CID 107140096
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103309571) is 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CCc1ccc(C(NC)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is KOBJERCTTAYHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N/c1-3-8-4-6-9(7-5-8)10(20-2)11(12(14,15)16)13(17,18)19/h4-7,10-11,20H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).