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

C16H15Cl2F2N — CID 102622933

IUPAC1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(12-4-3-5-14(20)16(12)18)9-10-8-11(19)6-7-13(10)17/h3-8,15,21H,2,9H2,1H3
InChIKeyJKIYCDHVUFRBHG-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.16
Rot. Bonds5

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

1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine (PubChem CID 102622933) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
PubChem CID102622933
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(12-4-3-5-14(20)16(12)18)9-10-8-11(19)6-7-13(10)17/h3-8,15,21H,2,9H2,1H3
InChIKeyJKIYCDHVUFRBHG-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
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
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(2-bromo-4-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622698

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine (CID 102622933) is 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1Cl)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine?
The InChIKey is JKIYCDHVUFRBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-21-15(12-4-3-5-14(20)16(12)18)9-10-8-11(19)6-7-13(10)17/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine?
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine has a molecular weight of 330.21 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 102622933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).