N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

C17H18F3N — CID 43490356

IUPACN-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C17H18F3N/c1-3-21-16(8-12-6-4-11(2)5-7-12)17-14(19)9-13(18)10-15(17)20/h4-7,9-10,16,21H,3,8H2,1-2H3
InChIKeyULADRKVUCZRUKJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.31
Rot. Bonds5

About N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 43490356) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID43490356
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C17H18F3N/c1-3-21-16(8-12-6-4-11(2)5-7-12)17-14(19)9-13(18)10-15(17)20/h4-7,9-10,16,21H,3,8H2,1-2H3
InChIKeyULADRKVUCZRUKJ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 43490356) is N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is ULADRKVUCZRUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-21-16(8-12-6-4-11(2)5-7-12)17-14(19)9-13(18)10-15(17)20/h4-7,9-10,16,21H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 43490356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).