5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine

C12H16ClNO — CID 15269222

IUPAC5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
SMILESCc1c(N)c2c(c(C)c1Cl)CC(C)(C)O2
InChIInChI=1S/C12H16ClNO/c1-6-8-5-12(3,4)15-11(8)10(14)7(2)9(6)13/h5,14H2,1-4H3
InChIKeyPTRUEAWDJFCATN-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.25
Rot. Bonds

About 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine

5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine (PubChem CID 15269222) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine.

Molecular Properties

Compound Name5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
PubChem CID15269222
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
SMILESCc1c(N)c2c(c(C)c1Cl)CC(C)(C)O2
InChIInChI=1S/C12H16ClNO/c1-6-8-5-12(3,4)15-11(8)10(14)7(2)9(6)13/h5,14H2,1-4H3
InChIKeyPTRUEAWDJFCATN-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.25
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 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
The IUPAC name of 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine (CID 15269222) is 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine.
What is the SMILES notation for 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
The canonical SMILES for 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine is Cc1c(N)c2c(c(C)c1Cl)CC(C)(C)O2.
What is the InChIKey of 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
The InChIKey is PTRUEAWDJFCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-6-8-5-12(3,4)15-11(8)10(14)7(2)9(6)13/h5,14H2,1-4H3.
What are the key properties of 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine has a molecular weight of 225.72 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine is sourced from PubChem (CID 15269222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).