N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine

C23H21F3N2 — CID 146267009

IUPACN-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCc1cccc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21F3N2/c24-23(25,26)17-27-15-14-18-8-7-13-21(16-18)28-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,27H,14-15,17H2
InChIKeyHISFGESAITVMTN-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.55
Rot. Bonds7

About N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine

N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine (PubChem CID 146267009) has the molecular formula C23H21F3N2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine
PubChem CID146267009
Molecular FormulaC23H21F3N2
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC NameN-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCc1cccc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21F3N2/c24-23(25,26)17-27-15-14-18-8-7-13-21(16-18)28-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,27H,14-15,17H2
InChIKeyHISFGESAITVMTN-UHFFFAOYSA-N
XLogP5.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
3-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]benzoic acid
CID 79264408
N'-[3-[2-(benzylamino)ethyl]phenyl]thiophene-3-carboximidamide
CID 18976247
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795
3-[2-(carboxymethylamino)ethyl]benzoic acid
CID 177277751
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide
CID 168602932
4-(benzhydrylideneamino)benzene-1,2-diol
CID 175353708
N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 67795805
3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide
CID 91278985
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine (CID 146267009) is N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCc1cccc(N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is HISFGESAITVMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2/c24-23(25,26)17-27-15-14-18-8-7-13-21(16-18)28-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,27H,14-15,17H2.
What are the key properties of N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine?
N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 382.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 146267009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).