N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine

C14H20F3N — CID 64566807

IUPACN-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
SMILESCCNC(CCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C14H20F3N/c1-2-18-13(10-11-14(15,16)17)9-8-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3
InChIKeyBUZHEIPYVXYVMX-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine

N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine (PubChem CID 64566807) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
PubChem CID64566807
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
SMILESCCNC(CCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C14H20F3N/c1-2-18-13(10-11-14(15,16)17)9-8-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3
InChIKeyBUZHEIPYVXYVMX-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-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-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
N-ethyl-5-methyl-1-phenylhex-5-en-3-amine
CID 79179781
N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008
4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 62881119
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine?
The IUPAC name of N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine (CID 64566807) is N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine.
What is the SMILES notation for N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine?
The canonical SMILES for N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine is CCNC(CCc1ccccc1)CCC(F)(F)F.
What is the InChIKey of N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine?
The InChIKey is BUZHEIPYVXYVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-2-18-13(10-11-14(15,16)17)9-8-12-6-4-3-5-7-12/h3-7,13,18H,2,8-11H2,1H3.
What are the key properties of N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine?
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine has a molecular weight of 259.31 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine is sourced from PubChem (CID 64566807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).