2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline

C22H20Cl3NO2 — CID 66542326

IUPAC2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C22H20Cl3NO2/c1-2-27-21-10-16(13-26-20-9-8-17(23)11-19(20)25)18(24)12-22(21)28-14-15-6-4-3-5-7-15/h3-12,26H,2,13-14H2,1H3
InChIKeyRZYSYORGMRSVTK-UHFFFAOYSA-N
MW436.77 g/mol
LogP7.24
Rot. Bonds8

About 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline

2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline (PubChem CID 66542326) has the molecular formula C22H20Cl3NO2 and a molecular weight of 436.77 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
PubChem CID66542326
Molecular FormulaC22H20Cl3NO2
Molecular Weight436.77 g/mol
Exact Mass435.06
IUPAC Name2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C22H20Cl3NO2/c1-2-27-21-10-16(13-26-20-9-8-17(23)11-19(20)25)18(24)12-22(21)28-14-15-6-4-3-5-7-15/h3-12,26H,2,13-14H2,1H3
InChIKeyRZYSYORGMRSVTK-UHFFFAOYSA-N
XLogP7.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66540853
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
CID 66542788
2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66540623
2,5-dichloro-N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540746
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
N-[[2-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2,4-dichloroaniline
CID 66541538
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 66542324
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline (CID 66542326) is 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline is CCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline?
The InChIKey is RZYSYORGMRSVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3NO2/c1-2-27-21-10-16(13-26-20-9-8-17(23)11-19(20)25)18(24)12-22(21)28-14-15-6-4-3-5-7-15/h3-12,26H,2,13-14H2,1H3.
What are the key properties of 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline?
2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline has a molecular weight of 436.77 g/mol, XLogP of 7.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline is sourced from PubChem (CID 66542326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).