5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline

C15H15Cl2NO2 — CID 65022123

IUPAC5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(CNc2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-5-3-10(7-12(14)17)9-18-13-8-11(16)4-6-15(13)20-2/h3-8,18H,9H2,1-2H3
InChIKeyIJTLLKDTEYAOBB-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.62
Rot. Bonds5

About 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline

5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline (PubChem CID 65022123) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
PubChem CID65022123
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(CNc2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-5-3-10(7-12(14)17)9-18-13-8-11(16)4-6-15(13)20-2/h3-8,18H,9H2,1-2H3
InChIKeyIJTLLKDTEYAOBB-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714
5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
5-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 102852974
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
2-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82762114

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline?
The IUPAC name of 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline (CID 65022123) is 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline is COc1ccc(CNc2cc(Cl)ccc2OC)cc1Cl.
What is the InChIKey of 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline?
The InChIKey is IJTLLKDTEYAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-14-5-3-10(7-12(14)17)9-18-13-8-11(16)4-6-15(13)20-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline?
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline has a molecular weight of 312.20 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 65022123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).