2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline

C22H18Cl4FNO2 — CID 66540623

IUPAC2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C22H18Cl4FNO2/c1-2-29-21-8-13(11-28-20-7-6-14(23)9-18(20)26)17(25)10-22(21)30-12-15-16(24)4-3-5-19(15)27/h3-10,28H,2,11-12H2,1H3
InChIKeyJOKYAFSLYVWGHV-UHFFFAOYSA-N
MW489.20 g/mol
LogP8.03
Rot. Bonds8

About 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline

2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline (PubChem CID 66540623) has the molecular formula C22H18Cl4FNO2 and a molecular weight of 489.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
PubChem CID66540623
Molecular FormulaC22H18Cl4FNO2
Molecular Weight489.20 g/mol
Exact Mass487.01
IUPAC Name2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C22H18Cl4FNO2/c1-2-29-21-8-13(11-28-20-7-6-14(23)9-18(20)26)17(25)10-22(21)30-12-15-16(24)4-3-5-19(15)27/h3-10,28H,2,11-12H2,1H3
InChIKeyJOKYAFSLYVWGHV-UHFFFAOYSA-N
XLogP8.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.20
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline with MolForge

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Related Compounds

2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66540853
4-chloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66540824
2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542326
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,4-dimethylaniline
CID 66540889
4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]benzoic acid
CID 66540688
N-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-chloroaniline
CID 66541264
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 66531690
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 66540723
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-thiophen-2-ylmethanamine
CID 66531663
2,6-dichloro-4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540222
4-chloro-N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 66542531
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531671

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline (CID 66540623) is 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline is CCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The InChIKey is JOKYAFSLYVWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl4FNO2/c1-2-29-21-8-13(11-28-20-7-6-14(23)9-18(20)26)17(25)10-22(21)30-12-15-16(24)4-3-5-19(15)27/h3-10,28H,2,11-12H2,1H3.
What are the key properties of 2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline has a molecular weight of 489.20 g/mol, XLogP of 8.03, 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-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline is sourced from PubChem (CID 66540623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).