2-tert-butyl-6-chloro-1-benzofuran-7-amine

C12H14ClNO — CID 172795562

IUPAC2-tert-butyl-6-chloro-1-benzofuran-7-amine
SMILESCC(C)(C)c1cc2ccc(Cl)c(N)c2o1
InChIInChI=1S/C12H14ClNO/c1-12(2,3)9-6-7-4-5-8(13)10(14)11(7)15-9/h4-6H,14H2,1-3H3
InChIKeyQDQKZKFDJOCABG-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.97
Rot. Bonds

About 2-tert-butyl-6-chloro-1-benzofuran-7-amine

2-tert-butyl-6-chloro-1-benzofuran-7-amine (PubChem CID 172795562) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-1-benzofuran-7-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-1-benzofuran-7-amine
PubChem CID172795562
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-tert-butyl-6-chloro-1-benzofuran-7-amine
SMILESCC(C)(C)c1cc2ccc(Cl)c(N)c2o1
InChIInChI=1S/C12H14ClNO/c1-12(2,3)9-6-7-4-5-8(13)10(14)11(7)15-9/h4-6H,14H2,1-3H3
InChIKeyQDQKZKFDJOCABG-UHFFFAOYSA-N
XLogP3.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.97
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 2-tert-butyl-6-chloro-1-benzofuran-7-amine?
The IUPAC name of 2-tert-butyl-6-chloro-1-benzofuran-7-amine (CID 172795562) is 2-tert-butyl-6-chloro-1-benzofuran-7-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-1-benzofuran-7-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-1-benzofuran-7-amine is CC(C)(C)c1cc2ccc(Cl)c(N)c2o1.
What is the InChIKey of 2-tert-butyl-6-chloro-1-benzofuran-7-amine?
The InChIKey is QDQKZKFDJOCABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-12(2,3)9-6-7-4-5-8(13)10(14)11(7)15-9/h4-6H,14H2,1-3H3.
What are the key properties of 2-tert-butyl-6-chloro-1-benzofuran-7-amine?
2-tert-butyl-6-chloro-1-benzofuran-7-amine has a molecular weight of 223.70 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-1-benzofuran-7-amine is sourced from PubChem (CID 172795562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).