6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO — CID 55296444

IUPAC6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)(C)c1ccc2c(c1)OCC2N
InChIInChI=1S/C12H17NO/c1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8/h4-6,10H,7,13H2,1-3H3
InChIKeyKNGKXTBHABJLRD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.38
Rot. Bonds

About 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine

6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 55296444) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID55296444
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)(C)c1ccc2c(c1)OCC2N
InChIInChI=1S/C12H17NO/c1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8/h4-6,10H,7,13H2,1-3H3
InChIKeyKNGKXTBHABJLRD-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine (CID 55296444) is 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine is CC(C)(C)c1ccc2c(c1)OCC2N.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is KNGKXTBHABJLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8/h4-6,10H,7,13H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine?
6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 55296444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).