4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine

C10H11Cl2NO — CID 3434321

IUPAC4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2c(Cl)c(N)cc(Cl)c2O1
InChIInChI=1S/C10H11Cl2NO/c1-10(2)4-5-8(12)7(13)3-6(11)9(5)14-10/h3H,4,13H2,1-2H3
InChIKeyBNJFNABJYBMURM-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.29
Rot. Bonds

About 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine

4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine (PubChem CID 3434321) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine
PubChem CID3434321
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2c(Cl)c(N)cc(Cl)c2O1
InChIInChI=1S/C10H11Cl2NO/c1-10(2)4-5-8(12)7(13)3-6(11)9(5)14-10/h3H,4,13H2,1-2H3
InChIKeyBNJFNABJYBMURM-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.29
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 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine (CID 3434321) is 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine is CC1(C)Cc2c(Cl)c(N)cc(Cl)c2O1.
What is the InChIKey of 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine?
The InChIKey is BNJFNABJYBMURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-10(2)4-5-8(12)7(13)3-6(11)9(5)14-10/h3H,4,13H2,1-2H3.
What are the key properties of 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine?
4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine has a molecular weight of 232.11 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 3434321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).