4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline

C13H10Cl3NO — CID 90455887

IUPAC4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
SMILESCOc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C13H10Cl3NO/c1-18-13-6-11(16)9(5-12(13)17)8-4-7(14)2-3-10(8)15/h2-6H,17H2,1H3
InChIKeyQPPNSJRLFYZFSP-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.90
Rot. Bonds2

About 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline

4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline (PubChem CID 90455887) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
PubChem CID90455887
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
SMILESCOc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C13H10Cl3NO/c1-18-13-6-11(16)9(5-12(13)17)8-4-7(14)2-3-10(8)15/h2-6H,17H2,1H3
InChIKeyQPPNSJRLFYZFSP-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea
CID 134113307
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline?
The IUPAC name of 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline (CID 90455887) is 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline.
What is the SMILES notation for 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline?
The canonical SMILES for 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline is COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1N.
What is the InChIKey of 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline?
The InChIKey is QPPNSJRLFYZFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c1-18-13-6-11(16)9(5-12(13)17)8-4-7(14)2-3-10(8)15/h2-6H,17H2,1H3.
What are the key properties of 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline?
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline has a molecular weight of 302.59 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline is sourced from PubChem (CID 90455887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).