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

C22H18Cl5NO2 — CID 66540853

IUPAC2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C22H18Cl5NO2/c1-2-29-21-8-13(11-28-20-7-6-14(23)9-19(20)27)18(26)10-22(21)30-12-15-16(24)4-3-5-17(15)25/h3-10,28H,2,11-12H2,1H3
InChIKeyQRWOONORIOUBDQ-UHFFFAOYSA-N
MW505.66 g/mol
LogP8.54
Rot. Bonds8

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

2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline (PubChem CID 66540853) has the molecular formula C22H18Cl5NO2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
PubChem CID66540853
Molecular FormulaC22H18Cl5NO2
Molecular Weight505.66 g/mol
Exact Mass502.98
IUPAC Name2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C22H18Cl5NO2/c1-2-29-21-8-13(11-28-20-7-6-14(23)9-19(20)27)18(26)10-22(21)30-12-15-16(24)4-3-5-17(15)25/h3-10,28H,2,11-12H2,1H3
InChIKeyQRWOONORIOUBDQ-UHFFFAOYSA-N
XLogP8.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66540623
2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542326
4-chloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66540824
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66531646
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopropanamine
CID 66531821
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772
2,5-dichloro-N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540746
N-[[2-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2,4-dichloroaniline
CID 66541538
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,4-dimethylaniline
CID 66540889
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66531776
5-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]pentan-1-ol
CID 66531655
2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66541717

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline (CID 66540853) is 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline is CCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The InChIKey is QRWOONORIOUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl5NO2/c1-2-29-21-8-13(11-28-20-7-6-14(23)9-19(20)27)18(26)10-22(21)30-12-15-16(24)4-3-5-17(15)25/h3-10,28H,2,11-12H2,1H3.
What are the key properties of 2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
2,4-dichloro-N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline has a molecular weight of 505.66 g/mol, XLogP of 8.54, 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-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline is sourced from PubChem (CID 66540853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).