1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

C16H15Cl3FN — CID 114886290

IUPAC1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C16H15Cl3FN/c1-2-21-16(12-8-10(17)6-7-15(12)20)9-11-13(18)4-3-5-14(11)19/h3-8,16,21H,2,9H2,1H3
InChIKeyBCPWYLZLBUHZMM-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.68
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 114886290) has the molecular formula C16H15Cl3FN and a molecular weight of 346.66 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID114886290
Molecular FormulaC16H15Cl3FN
Molecular Weight346.66 g/mol
Exact Mass345.03
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C16H15Cl3FN/c1-2-21-16(12-8-10(17)6-7-15(12)20)9-11-13(18)4-3-5-14(11)19/h3-8,16,21H,2,9H2,1H3
InChIKeyBCPWYLZLBUHZMM-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115830311
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63415329
1-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63417950

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 114886290) is 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is BCPWYLZLBUHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3FN/c1-2-21-16(12-8-10(17)6-7-15(12)20)9-11-13(18)4-3-5-14(11)19/h3-8,16,21H,2,9H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine has a molecular weight of 346.66 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 114886290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).