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

C16H24F3N — CID 64665232

IUPAC2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)CNCC(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-12(2)10-20-11-13(3)7-8-14-5-4-6-15(9-14)16(17,18)19/h4-6,9,12-13,20H,7-8,10-11H2,1-3H3
InChIKeyPDALDHOGZMJBOY-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.52
Rot. Bonds7

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

2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 64665232) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID64665232
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)CNCC(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-12(2)10-20-11-13(3)7-8-14-5-4-6-15(9-14)16(17,18)19/h4-6,9,12-13,20H,7-8,10-11H2,1-3H3
InChIKeyPDALDHOGZMJBOY-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
CID 177308905
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675
4-chloro-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66089921
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
N-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019920
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
sodium 1-hydroxy-3-[3-(trifluoromethyl)phenyl]propane-1-sulfonate
CID 134860445
N-ethyl-3-methyl-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019957
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
(2R,3S)-3-azido-1-(2-methylpropylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 102288817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 64665232) is 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine is CC(C)CNCC(C)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is PDALDHOGZMJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-12(2)10-20-11-13(3)7-8-14-5-4-6-15(9-14)16(17,18)19/h4-6,9,12-13,20H,7-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.52, 7 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)-4-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 64665232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).