N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine

C16H24F3N — CID 105174493

IUPACN-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
SMILESCCNC(CCCc1ccccc1)CCCC(F)(F)F
InChIInChI=1S/C16H24F3N/c1-2-20-15(12-7-13-16(17,18)19)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,15,20H,2,6-7,10-13H2,1H3
InChIKeyAISDHCPUBZZYNQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.72
Rot. Bonds9

About N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine

N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine (PubChem CID 105174493) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
PubChem CID105174493
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
SMILESCCNC(CCCc1ccccc1)CCCC(F)(F)F
InChIInChI=1S/C16H24F3N/c1-2-20-15(12-7-13-16(17,18)19)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,15,20H,2,6-7,10-13H2,1H3
InChIKeyAISDHCPUBZZYNQ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
CID 79086954
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
N-ethyl-5-methyl-1-phenylhex-5-en-3-amine
CID 79179781
4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 62881119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine?
The IUPAC name of N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine (CID 105174493) is N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine.
What is the SMILES notation for N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine?
The canonical SMILES for N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine is CCNC(CCCc1ccccc1)CCCC(F)(F)F.
What is the InChIKey of N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine?
The InChIKey is AISDHCPUBZZYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-2-20-15(12-7-13-16(17,18)19)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,15,20H,2,6-7,10-13H2,1H3.
What are the key properties of N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine?
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine has a molecular weight of 287.37 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine is sourced from PubChem (CID 105174493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).