N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline

C22H20Cl3NO — CID 126126336

IUPACN-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1
InChIInChI=1S/C22H20Cl3NO/c1-14-7-8-15(2)21(9-14)26-12-17-10-18(23)11-20(25)22(17)27-13-16-5-3-4-6-19(16)24/h3-11,26H,12-13H2,1-2H3
InChIKeySGTXWSYWLRIWQE-UHFFFAOYSA-N
MW420.77 g/mol
LogP7.45
Rot. Bonds6

About N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline

N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (PubChem CID 126126336) has the molecular formula C22H20Cl3NO and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
PubChem CID126126336
Molecular FormulaC22H20Cl3NO
Molecular Weight420.77 g/mol
Exact Mass419.06
IUPAC NameN-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1
InChIInChI=1S/C22H20Cl3NO/c1-14-7-8-15(2)21(9-14)26-12-17-10-18(23)11-20(25)22(17)27-13-16-5-3-4-6-19(16)24/h3-11,26H,12-13H2,1-2H3
InChIKeySGTXWSYWLRIWQE-UHFFFAOYSA-N
XLogP7.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.77
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126119400
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120663
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126118745
N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126142554
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126117021
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The IUPAC name of N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (CID 126126336) is N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1.
What is the InChIKey of N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The InChIKey is SGTXWSYWLRIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3NO/c1-14-7-8-15(2)21(9-14)26-12-17-10-18(23)11-20(25)22(17)27-13-16-5-3-4-6-19(16)24/h3-11,26H,12-13H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline has a molecular weight of 420.77 g/mol, XLogP of 7.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 126126336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).