2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C15H22F3N — CID 55083992

IUPAC2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)CNCC(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-11(2)9-19-10-12(3)8-13-4-6-14(7-5-13)15(16,17)18/h4-7,11-12,19H,8-10H2,1-3H3
InChIKeyCUWMODVAJQJEIE-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.13
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 55083992) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID55083992
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)CNCC(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-11(2)9-19-10-12(3)8-13-4-6-14(7-5-13)15(16,17)18/h4-7,11-12,19H,8-10H2,1-3H3
InChIKeyCUWMODVAJQJEIE-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528904
3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 107290244
2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 66002862
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899378
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 55083992) is 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CC(C)CNCC(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is CUWMODVAJQJEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-11(2)9-19-10-12(3)8-13-4-6-14(7-5-13)15(16,17)18/h4-7,11-12,19H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 55083992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).