6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C13H21NO — CID 24701996

IUPAC6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C(C)(C)C)CC2N
InChIInChI=1S/C13H21NO/c1-8-5-10-11(14)6-9(13(2,3)4)7-12(10)15-8/h5,9,11H,6-7,14H2,1-4H3
InChIKeyAQPLDYNNYASUKV-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.20
Rot. Bonds

About 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine

6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 24701996) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID24701996
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C(C)(C)C)CC2N
InChIInChI=1S/C13H21NO/c1-8-5-10-11(14)6-9(13(2,3)4)7-12(10)15-8/h5,9,11H,6-7,14H2,1-4H3
InChIKeyAQPLDYNNYASUKV-UHFFFAOYSA-N
XLogP3.20
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.20
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-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 24701996) is 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C(C)(C)C)CC2N.
What is the InChIKey of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is AQPLDYNNYASUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8-5-10-11(14)6-9(13(2,3)4)7-12(10)15-8/h5,9,11H,6-7,14H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 207.32 g/mol, XLogP of 3.20, 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-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 24701996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).