N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline

C21H19Cl2NO — CID 126127595

IUPACN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1
InChIInChI=1S/C21H19Cl2NO/c1-15-4-2-7-19(10-15)24-13-16-8-9-21(20(23)12-16)25-14-17-5-3-6-18(22)11-17/h2-12,24H,13-14H2,1H3
InChIKeyXUEWGOAENBJNNQ-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.49
Rot. Bonds6

About N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline

N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline (PubChem CID 126127595) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
PubChem CID126127595
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1
InChIInChI=1S/C21H19Cl2NO/c1-15-4-2-7-19(10-15)24-13-16-8-9-21(20(23)12-16)25-14-17-5-3-6-18(22)11-17/h2-12,24H,13-14H2,1H3
InChIKeyXUEWGOAENBJNNQ-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-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
4-bromo-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126212611
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126211661
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128389
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
CID 54796172

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
The IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline (CID 126127595) is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline.
What is the SMILES notation for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
The canonical SMILES for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline is Cc1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1.
What is the InChIKey of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
The InChIKey is XUEWGOAENBJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15-4-2-7-19(10-15)24-13-16-8-9-21(20(23)12-16)25-14-17-5-3-6-18(22)11-17/h2-12,24H,13-14H2,1H3.
What are the key properties of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-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-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline is sourced from PubChem (CID 126127595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).