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

C10H13NO — CID 143173521

IUPAC3,3-dimethyl-1H-2-benzofuran-5-amine
SMILESCC1(C)OCc2ccc(N)cc21
InChIInChI=1S/C10H13NO/c1-10(2)9-5-8(11)4-3-7(9)6-12-10/h3-5H,6,11H2,1-2H3
InChIKeyIMXNSPFBSCZEBW-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.03
Rot. Bonds

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

3,3-dimethyl-1H-2-benzofuran-5-amine (PubChem CID 143173521) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,3-dimethyl-1H-2-benzofuran-5-amine.

Molecular Properties

Compound Name3,3-dimethyl-1H-2-benzofuran-5-amine
PubChem CID143173521
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,3-dimethyl-1H-2-benzofuran-5-amine
SMILESCC1(C)OCc2ccc(N)cc21
InChIInChI=1S/C10H13NO/c1-10(2)9-5-8(11)4-3-7(9)6-12-10/h3-5H,6,11H2,1-2H3
InChIKeyIMXNSPFBSCZEBW-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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 3,3-dimethyl-1H-2-benzofuran-5-amine?
The IUPAC name of 3,3-dimethyl-1H-2-benzofuran-5-amine (CID 143173521) is 3,3-dimethyl-1H-2-benzofuran-5-amine.
What is the SMILES notation for 3,3-dimethyl-1H-2-benzofuran-5-amine?
The canonical SMILES for 3,3-dimethyl-1H-2-benzofuran-5-amine is CC1(C)OCc2ccc(N)cc21.
What is the InChIKey of 3,3-dimethyl-1H-2-benzofuran-5-amine?
The InChIKey is IMXNSPFBSCZEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)9-5-8(11)4-3-7(9)6-12-10/h3-5H,6,11H2,1-2H3.
What are the key properties of 3,3-dimethyl-1H-2-benzofuran-5-amine?
3,3-dimethyl-1H-2-benzofuran-5-amine has a molecular weight of 163.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1H-2-benzofuran-5-amine is sourced from PubChem (CID 143173521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).