2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

C20H23F4N — CID 58568398

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCC(C)Cc1ccc(CNCCc2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F4N/c1-14(2)9-15-3-5-16(6-4-15)13-25-8-7-17-10-18(20(22,23)24)12-19(21)11-17/h3-6,10-12,14,25H,7-9,13H2,1-2H3
InChIKeyNDSNUFLJPUXGSJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP5.38
Rot. Bonds7

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 58568398) has the molecular formula C20H23F4N and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID58568398
Molecular FormulaC20H23F4N
Molecular Weight353.40 g/mol
Exact Mass353.18
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCC(C)Cc1ccc(CNCCc2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F4N/c1-14(2)9-15-3-5-16(6-4-15)13-25-8-7-17-10-18(20(22,23)24)12-19(21)11-17/h3-6,10-12,14,25H,7-9,13H2,1-2H3
InChIKeyNDSNUFLJPUXGSJ-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine 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-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
N-[(4-tert-butylphenyl)methyl]-2-[3-fluoro-5-(10,10,10-trifluorodecyl)phenyl]ethanamine
CID 151672392
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 115350611
2-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115214797
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
CID 162577330
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (CID 58568398) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is CC(C)Cc1ccc(CNCCc2cc(F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is NDSNUFLJPUXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N/c1-14(2)9-15-3-5-16(6-4-15)13-25-8-7-17-10-18(20(22,23)24)12-19(21)11-17/h3-6,10-12,14,25H,7-9,13H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 353.40 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 58568398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).