2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline

C16H16Cl3NO — CID 43126451

IUPAC2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
SMILESCCOc1ccccc1C(C)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3NO/c1-3-21-15-7-5-4-6-12(15)10(2)20-16-13(18)8-11(17)9-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyWOKNNRXREKKBRE-UHFFFAOYSA-N
MW344.67 g/mol
LogP6.22
Rot. Bonds5

About 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline

2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline (PubChem CID 43126451) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
PubChem CID43126451
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
SMILESCCOc1ccccc1C(C)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3NO/c1-3-21-15-7-5-4-6-12(15)10(2)20-16-13(18)8-11(17)9-14(16)19/h4-10,20H,3H2,1-2H3
InChIKeyWOKNNRXREKKBRE-UHFFFAOYSA-N
XLogP6.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline 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

2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 61270632
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline (CID 43126451) is 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline is CCOc1ccccc1C(C)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
The InChIKey is WOKNNRXREKKBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-3-21-15-7-5-4-6-12(15)10(2)20-16-13(18)8-11(17)9-14(16)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline has a molecular weight of 344.67 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43126451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).