5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline

C16H17Cl2NO — CID 63451432

IUPAC5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-20-16-9-8-12(17)10-15(16)19-11(2)13-6-4-5-7-14(13)18/h4-11,19H,3H2,1-2H3
InChIKeyAYSKJBXIEHDJPX-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.57
Rot. Bonds5

About 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline

5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline (PubChem CID 63451432) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
PubChem CID63451432
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-20-16-9-8-12(17)10-15(16)19-11(2)13-6-4-5-7-14(13)18/h4-11,19H,3H2,1-2H3
InChIKeyAYSKJBXIEHDJPX-UHFFFAOYSA-N
XLogP5.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
CID 63451474
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 60935228
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
5-chloro-2-ethoxy-N-hexan-2-ylaniline
CID 63451337
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline?
The IUPAC name of 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline (CID 63451432) is 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline.
What is the SMILES notation for 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline?
The canonical SMILES for 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline is CCOc1ccc(Cl)cc1NC(C)c1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline?
The InChIKey is AYSKJBXIEHDJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-20-16-9-8-12(17)10-15(16)19-11(2)13-6-4-5-7-14(13)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline?
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline has a molecular weight of 310.22 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline is sourced from PubChem (CID 63451432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).