N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

C15H23NO — CID 10728357

IUPACN-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCCNc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C15H23NO/c1-7-16-13-9(2)10(3)14-12(11(13)4)8-15(5,6)17-14/h16H,7-8H2,1-6H3
InChIKeyOLMZSAXQYVJLLR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.76
Rot. Bonds2

About N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (PubChem CID 10728357) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
PubChem CID10728357
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCCNc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C15H23NO/c1-7-16-13-9(2)10(3)14-12(11(13)4)8-15(5,6)17-14/h16H,7-8H2,1-6H3
InChIKeyOLMZSAXQYVJLLR-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The IUPAC name of N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (CID 10728357) is N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is CCNc1c(C)c(C)c2c(c1C)CC(C)(C)O2.
What is the InChIKey of N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The InChIKey is OLMZSAXQYVJLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-7-16-13-9(2)10(3)14-12(11(13)4)8-15(5,6)17-14/h16H,7-8H2,1-6H3.
What are the key properties of N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine has a molecular weight of 233.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10728357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).