3,5-dichloroaniline

C6H5Cl2N — CID 12281

IUPAC3,5-dichloroaniline
SMILESNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKeyUQRLKWGPEVNVHT-UHFFFAOYSA-N
MW162.02 g/mol
LogP2.58
Rot. Bonds

About 3,5-dichloroaniline

3,5-dichloroaniline (PubChem CID 12281) has the molecular formula C6H5Cl2N and a molecular weight of 162.02 g/mol. Its IUPAC name is 3,5-dichloroaniline.

Molecular Properties

Compound Name3,5-dichloroaniline
PubChem CID12281
Molecular FormulaC6H5Cl2N
Molecular Weight162.02 g/mol
Exact Mass160.98
IUPAC Name3,5-dichloroaniline
SMILESNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKeyUQRLKWGPEVNVHT-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.02
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dichloroaniline
CID 7257
2-Chloroaniline
CID 7240
4-Chloroaniline
CID 7812
2,5-Dichloroaniline
CID 7262
3-Chloroaniline
CID 7932
2,3-Dichloroaniline
CID 11844
2,4-Dichloroaniline
CID 11123
2,4,6-Trichloroaniline
CID 12471
2,6-Dichloro-1,4-benzenediamine
CID 11860
4-Chloro-o-phenylenediamine
CID 7263
4-Chloroaniline hydrochloride
CID 5284363
2,5-Dichloro-1,4-benzenediamine
CID 29949

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloroaniline?
The IUPAC name of 3,5-dichloroaniline (CID 12281) is 3,5-dichloroaniline.
What is the SMILES notation for 3,5-dichloroaniline?
The canonical SMILES for 3,5-dichloroaniline is Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloroaniline?
The InChIKey is UQRLKWGPEVNVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2.
What are the key properties of 3,5-dichloroaniline?
3,5-dichloroaniline has a molecular weight of 162.02 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloroaniline is sourced from PubChem (CID 12281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).