2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine

C17H19Cl2NO — CID 107311946

IUPAC2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cccc(Cl)c2Cl)NC)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-21-14-9-7-12(8-10-14)16(20-2)11-13-5-4-6-15(18)17(13)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyKAOOTKBRXFJUTJ-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.90
Rot. Bonds6

About 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine

2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine (PubChem CID 107311946) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
PubChem CID107311946
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cccc(Cl)c2Cl)NC)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-21-14-9-7-12(8-10-14)16(20-2)11-13-5-4-6-15(18)17(13)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyKAOOTKBRXFJUTJ-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 105020535
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305773
1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107309145
[2-(2,3-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 107312565
2-(2,3-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 107312247
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107312240
1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine (CID 107311946) is 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine is CCOc1ccc(C(Cc2cccc(Cl)c2Cl)NC)cc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The InChIKey is KAOOTKBRXFJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-21-14-9-7-12(8-10-14)16(20-2)11-13-5-4-6-15(18)17(13)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine?
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine has a molecular weight of 324.25 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 107311946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).