5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine

C16H24F3N — CID 107876331

IUPAC5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine
SMILESCC(C)C(CNCCCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H24F3N/c1-13(2)15(14-8-4-3-5-9-14)12-20-11-7-6-10-16(17,18)19/h3-5,8-9,13,15,20H,6-7,10-12H2,1-2H3
InChIKeyCKRBLGHSPRPSCD-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.75
Rot. Bonds8

About 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine

5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine (PubChem CID 107876331) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine
PubChem CID107876331
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine
SMILESCC(C)C(CNCCCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H24F3N/c1-13(2)15(14-8-4-3-5-9-14)12-20-11-7-6-10-16(17,18)19/h3-5,8-9,13,15,20H,6-7,10-12H2,1-2H3
InChIKeyCKRBLGHSPRPSCD-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203
1-phenyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520442
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
5,5,5-trifluoro-N-(2-phenylsulfanylethyl)pentan-1-amine
CID 113327389
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine (CID 107876331) is 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine is CC(C)C(CNCCCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
The InChIKey is CKRBLGHSPRPSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-13(2)15(14-8-4-3-5-9-14)12-20-11-7-6-10-16(17,18)19/h3-5,8-9,13,15,20H,6-7,10-12H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine is sourced from PubChem (CID 107876331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).