N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline

C21H19Cl2NO2 — CID 126121410

IUPACN-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2NO2/c1-25-18-9-7-17(8-10-18)24-13-15-6-11-21(20(23)12-15)26-14-16-4-2-3-5-19(16)22/h2-12,24H,13-14H2,1H3
InChIKeyIIZDEBOAGCJQGW-UHFFFAOYSA-N
MW388.29 g/mol
LogP6.19
Rot. Bonds7

About N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline (PubChem CID 126121410) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
PubChem CID126121410
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC NameN-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2NO2/c1-25-18-9-7-17(8-10-18)24-13-15-6-11-21(20(23)12-15)26-14-16-4-2-3-5-19(16)22/h2-12,24H,13-14H2,1H3
InChIKeyIIZDEBOAGCJQGW-UHFFFAOYSA-N
XLogP6.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
N-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-methoxyaniline
CID 126127925
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methoxyaniline
CID 23792149
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66542093
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279
N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
CID 126124597
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724119
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126121641

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The IUPAC name of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline (CID 126121410) is N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline.
What is the SMILES notation for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The canonical SMILES for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The InChIKey is IIZDEBOAGCJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c1-25-18-9-7-17(8-10-18)24-13-15-6-11-21(20(23)12-15)26-14-16-4-2-3-5-19(16)22/h2-12,24H,13-14H2,1H3.
What are the key properties of N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline has a molecular weight of 388.29 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline is sourced from PubChem (CID 126121410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).