N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine

C16H16F3N — CID 103302765

IUPACN-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3N/c1-2-20-16(8-11-6-4-3-5-7-11)12-9-14(18)15(19)10-13(12)17/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyLAURDFSMDQGLDS-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.00
Rot. Bonds5

About N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine

N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 103302765) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine
PubChem CID103302765
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3N/c1-2-20-16(8-11-6-4-3-5-7-11)12-9-14(18)15(19)10-13(12)17/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyLAURDFSMDQGLDS-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
CID 81284854
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
CID 115787263
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63420060
N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
CID 103302785
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine (CID 103302765) is N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine is CCNC(Cc1ccccc1)c1cc(F)c(F)cc1F.
What is the InChIKey of N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine?
The InChIKey is LAURDFSMDQGLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-2-20-16(8-11-6-4-3-5-7-11)12-9-14(18)15(19)10-13(12)17/h3-7,9-10,16,20H,2,8H2,1H3.
What are the key properties of N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine?
N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 103302765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).