2-propan-2-yl-1-benzofuran-5-amine

C11H13NO — CID 144729089

IUPAC2-propan-2-yl-1-benzofuran-5-amine
SMILESCC(C)c1cc2cc(N)ccc2o1
InChIInChI=1S/C11H13NO/c1-7(2)11-6-8-5-9(12)3-4-10(8)13-11/h3-7H,12H2,1-2H3
InChIKeyYAROCYPKAGCWRG-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.14
Rot. Bonds1

About 2-propan-2-yl-1-benzofuran-5-amine

2-propan-2-yl-1-benzofuran-5-amine (PubChem CID 144729089) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-propan-2-yl-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-benzofuran-5-amine
PubChem CID144729089
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-propan-2-yl-1-benzofuran-5-amine
SMILESCC(C)c1cc2cc(N)ccc2o1
InChIInChI=1S/C11H13NO/c1-7(2)11-6-8-5-9(12)3-4-10(8)13-11/h3-7H,12H2,1-2H3
InChIKeyYAROCYPKAGCWRG-UHFFFAOYSA-N
XLogP3.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.14
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

2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
5,6-dimethyl-2-propan-2-yl-1-benzofuran
CID 174243739
2-tert-butyl-1-benzofuran-5-amine
CID 123538577
2-chloro-1-benzofuran-5-amine;hydrochloride
CID 155821729
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
2-propan-2-ylfuro[3,2-c]pyridine
CID 20602980
2-propyl-1-benzofuran-5-amine
CID 22132951
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-benzofuran-5-amine?
The IUPAC name of 2-propan-2-yl-1-benzofuran-5-amine (CID 144729089) is 2-propan-2-yl-1-benzofuran-5-amine.
What is the SMILES notation for 2-propan-2-yl-1-benzofuran-5-amine?
The canonical SMILES for 2-propan-2-yl-1-benzofuran-5-amine is CC(C)c1cc2cc(N)ccc2o1.
What is the InChIKey of 2-propan-2-yl-1-benzofuran-5-amine?
The InChIKey is YAROCYPKAGCWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)11-6-8-5-9(12)3-4-10(8)13-11/h3-7H,12H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-benzofuran-5-amine?
2-propan-2-yl-1-benzofuran-5-amine has a molecular weight of 175.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-benzofuran-5-amine is sourced from PubChem (CID 144729089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).