N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

C22H20Cl3NO — CID 126115738

IUPACN-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C22H20Cl3NO/c1-14-7-8-21(15(2)9-14)26-12-16-10-19(24)22(20(25)11-16)27-13-17-5-3-4-6-18(17)23/h3-11,26H,12-13H2,1-2H3
InChIKeyDIVVFJPNIXKDNJ-UHFFFAOYSA-N
MW420.77 g/mol
LogP7.45
Rot. Bonds6

About N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (PubChem CID 126115738) has the molecular formula C22H20Cl3NO and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
PubChem CID126115738
Molecular FormulaC22H20Cl3NO
Molecular Weight420.77 g/mol
Exact Mass419.06
IUPAC NameN-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C22H20Cl3NO/c1-14-7-8-21(15(2)9-14)26-12-16-10-19(24)22(20(25)11-16)27-13-17-5-3-4-6-18(17)23/h3-11,26H,12-13H2,1-2H3
InChIKeyDIVVFJPNIXKDNJ-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-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123609
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126126336
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126261528
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
3,4-dichloro-N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126205943
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126274306
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723998
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332494
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dimethylaniline
CID 126128067
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)thiourea
CID 799681

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The IUPAC name of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (CID 126115738) is N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The InChIKey is DIVVFJPNIXKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3NO/c1-14-7-8-21(15(2)9-14)26-12-16-10-19(24)22(20(25)11-16)27-13-17-5-3-4-6-18(17)23/h3-11,26H,12-13H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-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-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126115738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).