2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine

C16H16ClF2N — CID 102618857

IUPAC2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16ClF2N/c1-2-20-16(13-5-3-4-6-15(13)19)10-11-9-12(18)7-8-14(11)17/h3-9,16,20H,2,10H2,1H3
InChIKeyWHMDZTOKGWZSAN-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.51
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine (PubChem CID 102618857) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
PubChem CID102618857
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H16ClF2N/c1-2-20-16(13-5-3-4-6-15(13)19)10-11-9-12(18)7-8-14(11)17/h3-9,16,20H,2,10H2,1H3
InChIKeyWHMDZTOKGWZSAN-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
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
N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 102618617
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(2-bromo-4-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622698
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine (CID 102618857) is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine is CCNC(Cc1cc(F)ccc1Cl)c1ccccc1F.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The InChIKey is WHMDZTOKGWZSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-2-20-16(13-5-3-4-6-15(13)19)10-11-9-12(18)7-8-14(11)17/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.51, 5 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)-N-ethyl-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 102618857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).