2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine

C16H16ClF2NO — CID 105143838

IUPAC2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H16ClF2NO/c1-2-20-16(14-9-12(18)5-8-15(14)19)10-21-13-6-3-11(17)4-7-13/h3-9,16,20H,2,10H2,1H3
InChIKeyOHKRQRRUOGAVNF-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine

2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine (PubChem CID 105143838) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
PubChem CID105143838
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H16ClF2NO/c1-2-20-16(14-9-12(18)5-8-15(14)19)10-21-13-6-3-11(17)4-7-13/h3-9,16,20H,2,10H2,1H3
InChIKeyOHKRQRRUOGAVNF-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine
CID 106648061
2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 105143748
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
CID 43490158
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 105394830
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine (CID 105143838) is 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine is CCNC(COc1ccc(Cl)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is OHKRQRRUOGAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-2-20-16(14-9-12(18)5-8-15(14)19)10-21-13-6-3-11(17)4-7-13/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine?
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105143838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).