N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine

C16H24F3N — CID 106024462

IUPACN-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine
SMILESCCCCC(CCC)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-3-5-12-14(9-4-2)20-15(16(17,18)19)13-10-7-6-8-11-13/h6-8,10-11,14-15,20H,3-5,9,12H2,1-2H3
InChIKeyDSPXBMDIPLPFEG-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.24
Rot. Bonds8

About N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine

N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine (PubChem CID 106024462) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine
PubChem CID106024462
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine
SMILESCCCCC(CCC)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-3-5-12-14(9-4-2)20-15(16(17,18)19)13-10-7-6-8-11-13/h6-8,10-11,14-15,20H,3-5,9,12H2,1-2H3
InChIKeyDSPXBMDIPLPFEG-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-octan-4-ylaniline
CID 12779854
ethane;[(2S)-1,1,1-trifluoropentan-2-yl]benzene
CID 170769843
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 122592350
N-(1-phenylethyl)hexan-2-amine
CID 43755937
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
CID 106019347
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
3-(octan-4-ylamino)-2-phenylpropanoic acid
CID 106019948
4-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-2-amine
CID 113399602
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
3-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-1-amine
CID 113493950

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine?
The IUPAC name of N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine (CID 106024462) is N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine is CCCCC(CCC)NC(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine?
The InChIKey is DSPXBMDIPLPFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-3-5-12-14(9-4-2)20-15(16(17,18)19)13-10-7-6-8-11-13/h6-8,10-11,14-15,20H,3-5,9,12H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine?
N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine has a molecular weight of 287.37 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-phenylethyl)octan-4-amine is sourced from PubChem (CID 106024462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).