N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

C22H21Cl2NO — CID 126119576

IUPACN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1
InChIInChI=1S/C22H21Cl2NO/c1-15-3-10-22(16(2)11-15)25-13-17-4-8-20(9-5-17)26-14-18-6-7-19(23)12-21(18)24/h3-12,25H,13-14H2,1-2H3
InChIKeyHFLPQAFHWRQENQ-UHFFFAOYSA-N
MW386.32 g/mol
LogP6.80
Rot. Bonds6

About N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (PubChem CID 126119576) has the molecular formula C22H21Cl2NO and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
PubChem CID126119576
Molecular FormulaC22H21Cl2NO
Molecular Weight386.32 g/mol
Exact Mass385.10
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1
InChIInChI=1S/C22H21Cl2NO/c1-15-3-10-22(16(2)11-15)25-13-17-4-8-20(9-5-17)26-14-18-6-7-19(23)12-21(18)24/h3-12,25H,13-14H2,1-2H3
InChIKeyHFLPQAFHWRQENQ-UHFFFAOYSA-N
XLogP6.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126118745
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 30053969
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210398
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 4727697

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (CID 126119576) is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The InChIKey is HFLPQAFHWRQENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO/c1-15-3-10-22(16(2)11-15)25-13-17-4-8-20(9-5-17)26-14-18-6-7-19(23)12-21(18)24/h3-12,25H,13-14H2,1-2H3.
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline has a molecular weight of 386.32 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126119576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).