2-chloro-5-(3-chloro-4-methoxyphenyl)aniline

C13H11Cl2NO — CID 62908744

IUPAC2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(Cl)c(N)c2)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-17-13-5-3-8(6-11(13)15)9-2-4-10(14)12(16)7-9/h2-7H,16H2,1H3
InChIKeyHDFAHTJDCHPVTD-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.25
Rot. Bonds2

About 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline

2-chloro-5-(3-chloro-4-methoxyphenyl)aniline (PubChem CID 62908744) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
PubChem CID62908744
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(Cl)c(N)c2)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-17-13-5-3-8(6-11(13)15)9-2-4-10(14)12(16)7-9/h2-7H,16H2,1H3
InChIKeyHDFAHTJDCHPVTD-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.25
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-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
CID 83167143
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
CID 82467213
1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline?
The IUPAC name of 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline (CID 62908744) is 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline.
What is the SMILES notation for 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline?
The canonical SMILES for 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline is COc1ccc(-c2ccc(Cl)c(N)c2)cc1Cl.
What is the InChIKey of 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline?
The InChIKey is HDFAHTJDCHPVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-17-13-5-3-8(6-11(13)15)9-2-4-10(14)12(16)7-9/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline?
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline has a molecular weight of 268.14 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-4-methoxyphenyl)aniline is sourced from PubChem (CID 62908744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).