2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine

C17H18Cl2FN — CID 105032313

IUPAC2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-21-16(13-7-11(2)8-14(18)9-13)10-12-5-4-6-15(20)17(12)19/h4-9,16,21H,3,10H2,1-2H3
InChIKeyGRZMUBIQYNJRPD-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.33
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine

2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine (PubChem CID 105032313) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
PubChem CID105032313
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-21-16(13-7-11(2)8-14(18)9-13)10-12-5-4-6-15(20)17(12)19/h4-9,16,21H,3,10H2,1-2H3
InChIKeyGRZMUBIQYNJRPD-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-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032667
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 107308460
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105032393

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine (CID 105032313) is 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Cl)c1cc(C)cc(Cl)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The InChIKey is GRZMUBIQYNJRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-21-16(13-7-11(2)8-14(18)9-13)10-12-5-4-6-15(20)17(12)19/h4-9,16,21H,3,10H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine 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-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105032313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).