2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine

C15H13Cl2F2N — CID 102619421

IUPAC2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl2F2N/c1-20-15(12-8-10(16)2-5-14(12)19)7-9-6-11(18)3-4-13(9)17/h2-6,8,15,20H,7H2,1H3
InChIKeyJYCAQRFJBBXXME-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.77
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine

2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 102619421) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID102619421
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl2F2N/c1-20-15(12-8-10(16)2-5-14(12)19)7-9-6-11(18)3-4-13(9)17/h2-6,8,15,20H,7H2,1H3
InChIKeyJYCAQRFJBBXXME-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
[2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 102623551
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine (CID 102619421) is 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is JYCAQRFJBBXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-20-15(12-8-10(16)2-5-14(12)19)7-9-6-11(18)3-4-13(9)17/h2-6,8,15,20H,7H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine?
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 316.18 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 102619421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).