2,2-dimethyl-3H-1-benzofuran-5-amine

C10H13NO — CID 596021

IUPAC2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2cc(N)ccc2O1
InChIInChI=1S/C10H13NO/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-5H,6,11H2,1-2H3
InChIKeyLWDIQKVNWBXIMP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.98
Rot. Bonds

About 2,2-dimethyl-3H-1-benzofuran-5-amine

2,2-dimethyl-3H-1-benzofuran-5-amine (PubChem CID 596021) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,2-dimethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-3H-1-benzofuran-5-amine
PubChem CID596021
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2cc(N)ccc2O1
InChIInChI=1S/C10H13NO/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-5H,6,11H2,1-2H3
InChIKeyLWDIQKVNWBXIMP-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.98
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 2,2-dimethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2-dimethyl-3H-1-benzofuran-5-amine (CID 596021) is 2,2-dimethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2-dimethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2-dimethyl-3H-1-benzofuran-5-amine is CC1(C)Cc2cc(N)ccc2O1.
What is the InChIKey of 2,2-dimethyl-3H-1-benzofuran-5-amine?
The InChIKey is LWDIQKVNWBXIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-5H,6,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-1-benzofuran-5-amine?
2,2-dimethyl-3H-1-benzofuran-5-amine has a molecular weight of 163.22 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 596021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).