2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine

C17H18Cl2FN — CID 107308460

IUPAC2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1ccc(F)c(C)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-21-16(12-7-8-15(20)11(2)9-12)10-13-5-4-6-14(18)17(13)19/h4-9,16,21H,3,10H2,1-2H3
InChIKeyMPMKCPIVHRFGSK-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.33
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine

2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine (PubChem CID 107308460) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
PubChem CID107308460
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1ccc(F)c(C)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-21-16(12-7-8-15(20)11(2)9-12)10-13-5-4-6-14(18)17(13)19/h4-9,16,21H,3,10H2,1-2H3
InChIKeyMPMKCPIVHRFGSK-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312112
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032667
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105032313
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine (CID 107308460) is 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine is CCNC(Cc1cccc(Cl)c1Cl)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine?
The InChIKey is MPMKCPIVHRFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-21-16(12-7-8-15(20)11(2)9-12)10-13-5-4-6-14(18)17(13)19/h4-9,16,21H,3,10H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine?
2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine has a molecular weight of 326.24 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 107308460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).