2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine

C17H19Cl2NO — CID 60818340

IUPAC2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1cccc(OC)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-20-17(13-5-4-6-15(9-13)21-2)10-12-7-8-14(18)11-16(12)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyJPPKQWZRHNKYDX-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.90
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine

2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 60818340) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
PubChem CID60818340
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1cccc(OC)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-20-17(13-5-4-6-15(9-13)21-2)10-12-7-8-14(18)11-16(12)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyJPPKQWZRHNKYDX-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

(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43099502
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
[2-(2-chloro-4-methylphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 106868566
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine (CID 60818340) is 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine is CCNC(Cc1ccc(Cl)cc1Cl)c1cccc(OC)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is JPPKQWZRHNKYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-20-17(13-5-4-6-15(9-13)21-2)10-12-7-8-14(18)11-16(12)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine?
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine 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-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 60818340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).