3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline

C13H10Cl3NO — CID 135358463

IUPAC3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline
SMILESNc1ccc(Cl)c(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl3NO/c14-9-3-1-8(2-4-9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2
InChIKeyFNVVHNKTVIWQJF-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.81
Rot. Bonds3

About 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline

3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline (PubChem CID 135358463) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline
PubChem CID135358463
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline
SMILESNc1ccc(Cl)c(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl3NO/c14-9-3-1-8(2-4-9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2
InChIKeyFNVVHNKTVIWQJF-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline?
The IUPAC name of 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline (CID 135358463) is 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline.
What is the SMILES notation for 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline?
The canonical SMILES for 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline is Nc1ccc(Cl)c(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline?
The InChIKey is FNVVHNKTVIWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c14-9-3-1-8(2-4-9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2.
What are the key properties of 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline?
3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline has a molecular weight of 302.59 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline is sourced from PubChem (CID 135358463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).