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

C16H16F3N — CID 115503189

IUPACN-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3N/c1-3-20-10(2)11-6-4-5-7-12(11)13-8-15(18)16(19)9-14(13)17/h4-10,20H,3H2,1-2H3
InChIKeyFFTOIYNLLYFLHN-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.44
Rot. Bonds4

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

N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine (PubChem CID 115503189) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
PubChem CID115503189
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3N/c1-3-20-10(2)11-6-4-5-7-12(11)13-8-15(18)16(19)9-14(13)17/h4-10,20H,3H2,1-2H3
InChIKeyFFTOIYNLLYFLHN-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.44
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

N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658
N-[1-[2-(2-chloro-4,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 107476928
1-[2-(2,4-dimethylphenyl)phenyl]-N-ethylethanamine
CID 55110501
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732474
N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine
CID 102834416
1-[2-(2,4-dimethoxyphenyl)phenyl]-N-ethylethanamine
CID 61033910
N-ethyl-1-(2-pyridin-2-ylphenyl)ethanamine
CID 55244463
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708716
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine (CID 115503189) is N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine is CCNC(C)c1ccccc1-c1cc(F)c(F)cc1F.
What is the InChIKey of N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine?
The InChIKey is FFTOIYNLLYFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-3-20-10(2)11-6-4-5-7-12(11)13-8-15(18)16(19)9-14(13)17/h4-10,20H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine?
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 115503189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).