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

C21H19Cl2NO — CID 126118021

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15-6-2-4-8-20(15)24-13-16-7-3-5-9-21(16)25-14-17-10-11-18(22)12-19(17)23/h2-12,24H,13-14H2,1H3
InChIKeyBZYPYBHSCSMEQD-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.49
Rot. Bonds6

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

N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126118021) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126118021
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15-6-2-4-8-20(15)24-13-16-7-3-5-9-21(16)25-14-17-10-11-18(22)12-19(17)23/h2-12,24H,13-14H2,1H3
InChIKeyBZYPYBHSCSMEQD-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

5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125531
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
5-chloro-2-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39394866
N-[(2-butoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 39432260
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39432274
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126118021) is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1ccccc1NCc1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is BZYPYBHSCSMEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15-6-2-4-8-20(15)24-13-16-7-3-5-9-21(16)25-14-17-10-11-18(22)12-19(17)23/h2-12,24H,13-14H2,1H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
N-[[2-[(2,4-dichlorophenyl)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-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126118021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).