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

C17H26F3N — CID 81011675

IUPAC2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)CNCC(C)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H26F3N/c1-12(2)10-21-11-14(4)13(3)8-15-6-5-7-16(9-15)17(18,19)20/h5-7,9,12-14,21H,8,10-11H2,1-4H3
InChIKeyDFOCEOZXSBSEOX-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.77
Rot. Bonds7

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

2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 81011675) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID81011675
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)CNCC(C)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H26F3N/c1-12(2)10-21-11-14(4)13(3)8-15-6-5-7-16(9-15)17(18,19)20/h5-7,9,12-14,21H,8,10-11H2,1-4H3
InChIKeyDFOCEOZXSBSEOX-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
(2R,3S)-3-azido-1-(2-methylpropylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 102288817
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83139698
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
1-(3-bromo-2-methyl-3-phenylpropyl)-3-(trifluoromethyl)benzene
CID 104846538
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 81011675) is 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine is CC(C)CNCC(C)C(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is DFOCEOZXSBSEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-12(2)10-21-11-14(4)13(3)8-15-6-5-7-16(9-15)17(18,19)20/h5-7,9,12-14,21H,8,10-11H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine?
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 81011675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).