2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline

C17H19Cl2NO — CID 104726016

IUPAC2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
SMILESCCOc1ccc(C(C)Nc2cc(Cl)c(C)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-4-21-14-7-5-13(6-8-14)12(3)20-17-10-15(18)11(2)9-16(17)19/h5-10,12,20H,4H2,1-3H3
InChIKeyCBDRHPQKAOYIMP-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.87
Rot. Bonds5

About 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline

2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline (PubChem CID 104726016) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
PubChem CID104726016
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
SMILESCCOc1ccc(C(C)Nc2cc(Cl)c(C)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-4-21-14-7-5-13(6-8-14)12(3)20-17-10-15(18)11(2)9-16(17)19/h5-10,12,20H,4H2,1-3H3
InChIKeyCBDRHPQKAOYIMP-UHFFFAOYSA-N
XLogP5.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 104726147
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 106816485
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 55203039
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-methoxyphenol
CID 104726376
3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline (CID 104726016) is 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline is CCOc1ccc(C(C)Nc2cc(Cl)c(C)cc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline?
The InChIKey is CBDRHPQKAOYIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-4-21-14-7-5-13(6-8-14)12(3)20-17-10-15(18)11(2)9-16(17)19/h5-10,12,20H,4H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline?
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline has a molecular weight of 324.25 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 104726016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).