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

C21H19Cl2NO — CID 126118257

IUPAC5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15-10-11-18(22)12-20(15)24-13-16-6-3-5-9-21(16)25-14-17-7-2-4-8-19(17)23/h2-12,24H,13-14H2,1H3
InChIKeyALTWATNLYLEPHW-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.49
Rot. Bonds6

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

5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126118257) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126118257
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15-10-11-18(22)12-20(15)24-13-16-6-3-5-9-21(16)25-14-17-7-2-4-8-19(17)23/h2-12,24H,13-14H2,1H3
InChIKeyALTWATNLYLEPHW-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-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
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
5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39432274
N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126126336
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126115586
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
5-chloro-N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126123859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126118257) is 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is ALTWATNLYLEPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15-10-11-18(22)12-20(15)24-13-16-6-3-5-9-21(16)25-14-17-7-2-4-8-19(17)23/h2-12,24H,13-14H2,1H3.
What are the key properties of 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
5-chloro-N-[[2-[(2-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 5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126118257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).