2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine

C17H19ClFN — CID 102618480

IUPAC2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C17H19ClFN/c1-3-20-17(13-6-4-12(2)5-7-13)11-14-10-15(19)8-9-16(14)18/h4-10,17,20H,3,11H2,1-2H3
InChIKeyZTYNKPXQMTUWNO-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine (PubChem CID 102618480) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
PubChem CID102618480
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C17H19ClFN/c1-3-20-17(13-6-4-12(2)5-7-13)11-14-10-15(19)8-9-16(14)18/h4-10,17,20H,3,11H2,1-2H3
InChIKeyZTYNKPXQMTUWNO-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 102622794
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
1-(2-bromo-4-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622698
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
N-[1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]propan-1-amine
CID 102618475

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine (CID 102618480) is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1Cl)c1ccc(C)cc1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The InChIKey is ZTYNKPXQMTUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-20-17(13-6-4-12(2)5-7-13)11-14-10-15(19)8-9-16(14)18/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 102618480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).