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

C16H16Cl2FN — CID 63527546

IUPAC1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C16H16Cl2FN/c1-2-20-16(9-11-5-3-4-6-14(11)18)13-10-12(17)7-8-15(13)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyUYFLEOXZZZCMDU-UHFFFAOYSA-N
MW312.21 g/mol
LogP5.03
Rot. Bonds5

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

1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine (PubChem CID 63527546) has the molecular formula C16H16Cl2FN and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
PubChem CID63527546
Molecular FormulaC16H16Cl2FN
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C16H16Cl2FN/c1-2-20-16(9-11-5-3-4-6-14(11)18)13-10-12(17)7-8-15(13)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyUYFLEOXZZZCMDU-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine (CID 63527546) is 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The InChIKey is UYFLEOXZZZCMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-2-20-16(9-11-5-3-4-6-14(11)18)13-10-12(17)7-8-15(13)19/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine has a molecular weight of 312.21 g/mol, XLogP of 5.03, 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-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63527546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).