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

C22H20Cl3NO — CID 126126081

IUPACN-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1C
InChIInChI=1S/C22H20Cl3NO/c1-14-5-3-8-21(15(14)2)26-12-17-10-19(24)11-20(25)22(17)27-13-16-6-4-7-18(23)9-16/h3-11,26H,12-13H2,1-2H3
InChIKeyQSEHKMMMSGOCSZ-UHFFFAOYSA-N
MW420.77 g/mol
LogP7.45
Rot. Bonds6

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

N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline (PubChem CID 126126081) has the molecular formula C22H20Cl3NO and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
PubChem CID126126081
Molecular FormulaC22H20Cl3NO
Molecular Weight420.77 g/mol
Exact Mass419.06
IUPAC NameN-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1C
InChIInChI=1S/C22H20Cl3NO/c1-14-5-3-8-21(15(14)2)26-12-17-10-19(24)11-20(25)22(17)27-13-16-6-4-7-18(23)9-16/h3-11,26H,12-13H2,1-2H3
InChIKeyQSEHKMMMSGOCSZ-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

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

1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126127818
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125531
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,3-dimethylaniline
CID 126126981
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline
CID 126123665
3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126119400
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126127653
2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126184186
3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118289
N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126126336
N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126142554

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline (CID 126126081) is N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline is Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1C.
What is the InChIKey of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
The InChIKey is QSEHKMMMSGOCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3NO/c1-14-5-3-8-21(15(14)2)26-12-17-10-19(24)11-20(25)22(17)27-13-16-6-4-7-18(23)9-16/h3-11,26H,12-13H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-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-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline is sourced from PubChem (CID 126126081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).