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

C14H21NO — CID 10704113

IUPACN,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine
SMILESCNc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C14H21NO/c1-8-9(2)13-11(7-14(4,5)16-13)10(3)12(8)15-6/h15H,7H2,1-6H3
InChIKeyZDLFHLWYWPGJOJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.37
Rot. Bonds1

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

N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine (PubChem CID 10704113) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine
PubChem CID10704113
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine
SMILESCNc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C14H21NO/c1-8-9(2)13-11(7-14(4,5)16-13)10(3)12(8)15-6/h15H,7H2,1-6H3
InChIKeyZDLFHLWYWPGJOJ-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.37
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,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine?
The IUPAC name of N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine (CID 10704113) is N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine is CNc1c(C)c(C)c2c(c1C)CC(C)(C)O2.
What is the InChIKey of N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine?
The InChIKey is ZDLFHLWYWPGJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-8-9(2)13-11(7-14(4,5)16-13)10(3)12(8)15-6/h15H,7H2,1-6H3.
What are the key properties of N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine?
N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine has a molecular weight of 219.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10704113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).