2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

C17H19ClFN — CID 63413996

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1ccccc1C
InChIInChI=1S/C17H19ClFN/c1-3-20-17(13-8-5-4-7-12(13)2)11-14-15(18)9-6-10-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyUXGHYPUSFARFLV-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 63413996) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID63413996
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1ccccc1C
InChIInChI=1S/C17H19ClFN/c1-3-20-17(13-8-5-4-7-12(13)2)11-14-15(18)9-6-10-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyUXGHYPUSFARFLV-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-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 106266939
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 102763897
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115830311
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63415329
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (CID 63413996) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(Cc1c(F)cccc1Cl)c1ccccc1C.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is UXGHYPUSFARFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-20-17(13-8-5-4-7-12(13)2)11-14-15(18)9-6-10-16(14)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-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-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63413996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).