N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline

C21H19Cl2NO — CID 126124035

IUPACN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2NO/c1-15-4-2-3-5-20(15)24-13-17-12-19(23)10-11-21(17)25-14-16-6-8-18(22)9-7-16/h2-12,24H,13-14H2,1H3
InChIKeyORJGYUTXGKULRG-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.49
Rot. Bonds6

About N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126124035) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126124035
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2NO/c1-15-4-2-3-5-20(15)24-13-17-12-19(23)10-11-21(17)25-14-16-6-8-18(22)9-7-16/h2-12,24H,13-14H2,1H3
InChIKeyORJGYUTXGKULRG-UHFFFAOYSA-N
XLogP6.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125531
N-[[5-chloro-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125870
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126127818
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126116313
N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
CID 126116599

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126124035) is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is ORJGYUTXGKULRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15-4-2-3-5-20(15)24-13-17-12-19(23)10-11-21(17)25-14-16-6-8-18(22)9-7-16/h2-12,24H,13-14H2,1H3.
What are the key properties of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline has a molecular weight of 372.30 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126124035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).