2-tert-butyl-1-benzofuran-5-amine

C12H15NO — CID 123538577

IUPAC2-tert-butyl-1-benzofuran-5-amine
SMILESCC(C)(C)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H15NO/c1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11/h4-7H,13H2,1-3H3
InChIKeySLPSMVYQAPBNGI-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.31
Rot. Bonds

About 2-tert-butyl-1-benzofuran-5-amine

2-tert-butyl-1-benzofuran-5-amine (PubChem CID 123538577) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran-5-amine
PubChem CID123538577
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-tert-butyl-1-benzofuran-5-amine
SMILESCC(C)(C)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H15NO/c1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11/h4-7H,13H2,1-3H3
InChIKeySLPSMVYQAPBNGI-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine
CID 84683071
2-propan-2-yl-1-benzofuran-5-amine
CID 144729089
5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
CID 171548664
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
2-chloro-1-benzofuran-5-amine;hydrochloride
CID 155821729
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
2,5-ditert-butylfuro[2,3-b]furan
CID 89447163
2-propyl-1-benzofuran-5-amine
CID 22132951
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
2-tert-butyl-1,3-benzoxazol-6-amine
CID 39112039
2-(1,1-difluoroethyl)-1-benzofuran-5-ol
CID 84668029
5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 61092001

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran-5-amine?
The IUPAC name of 2-tert-butyl-1-benzofuran-5-amine (CID 123538577) is 2-tert-butyl-1-benzofuran-5-amine.
What is the SMILES notation for 2-tert-butyl-1-benzofuran-5-amine?
The canonical SMILES for 2-tert-butyl-1-benzofuran-5-amine is CC(C)(C)c1cc2cc(N)ccc2o1.
What is the InChIKey of 2-tert-butyl-1-benzofuran-5-amine?
The InChIKey is SLPSMVYQAPBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11/h4-7H,13H2,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran-5-amine?
2-tert-butyl-1-benzofuran-5-amine has a molecular weight of 189.26 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran-5-amine is sourced from PubChem (CID 123538577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).