2,6-dichloro-4-(oxiran-2-yl)aniline

C8H7Cl2NO — CID 15067146

IUPAC2,6-dichloro-4-(oxiran-2-yl)aniline
SMILESNc1c(Cl)cc(C2CO2)cc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-5-1-4(7-3-12-7)2-6(10)8(5)11/h1-2,7H,3,11H2
InChIKeyKJCVQUSZPFICCE-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.65
Rot. Bonds1

About 2,6-dichloro-4-(oxiran-2-yl)aniline

2,6-dichloro-4-(oxiran-2-yl)aniline (PubChem CID 15067146) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2,6-dichloro-4-(oxiran-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(oxiran-2-yl)aniline
PubChem CID15067146
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2,6-dichloro-4-(oxiran-2-yl)aniline
SMILESNc1c(Cl)cc(C2CO2)cc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-5-1-4(7-3-12-7)2-6(10)8(5)11/h1-2,7H,3,11H2
InChIKeyKJCVQUSZPFICCE-UHFFFAOYSA-N
XLogP2.65
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanol, 4-amino-alpha-(aminomethyl)-3,5-dichloro-
CID 217242
1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanol
CID 10446625
1-(4-Amino-3,5-dichlorophenyl)ethanol
CID 23162101
(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-ethylene oxide
CID 15067147
1-(4-Amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130274748
2,6-Dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline
CID 130275816
(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130276472
2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
CID 140801931
2,6-dichloro-4-[(1R)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
CID 140801947
2-Chloro-6-fluoro-4-(oxiran-2-yl)aniline
CID 141286038
2,6-Dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline
CID 175052292
2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 149997767

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(oxiran-2-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(oxiran-2-yl)aniline (CID 15067146) is 2,6-dichloro-4-(oxiran-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(oxiran-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(oxiran-2-yl)aniline is Nc1c(Cl)cc(C2CO2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(oxiran-2-yl)aniline?
The InChIKey is KJCVQUSZPFICCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c9-5-1-4(7-3-12-7)2-6(10)8(5)11/h1-2,7H,3,11H2.
What are the key properties of 2,6-dichloro-4-(oxiran-2-yl)aniline?
2,6-dichloro-4-(oxiran-2-yl)aniline has a molecular weight of 204.06 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(oxiran-2-yl)aniline is sourced from PubChem (CID 15067146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).