3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine

C15H22F3N — CID 81022627

IUPAC3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)NCCC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-11(2)19-10-9-14(3,4)12-7-5-6-8-13(12)15(16,17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeySXEJWHCUQSWHJU-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.37
Rot. Bonds5

About 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine

3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 81022627) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID81022627
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)NCCC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-11(2)19-10-9-14(3,4)12-7-5-6-8-13(12)15(16,17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeySXEJWHCUQSWHJU-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335
1-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)benzene
CID 64715364
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79590331
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830782
3-methyl-3-(4-methyl-3-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 81022881
3-(1,2-dihydroacenaphthylen-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 114939848
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830315

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine (CID 81022627) is 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine is CC(C)NCCC(C)(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is SXEJWHCUQSWHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-11(2)19-10-9-14(3,4)12-7-5-6-8-13(12)15(16,17)18/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine?
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 81022627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).