7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine

C13H19NO — CID 43512531

IUPAC7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2c1cccc2C(C)(C)C
InChIInChI=1S/C13H19NO/c1-13(2,3)10-7-5-6-9-11(14-4)8-15-12(9)10/h5-7,11,14H,8H2,1-4H3
InChIKeyHEFQQTRIEXHAHC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.64
Rot. Bonds1

About 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine

7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512531) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512531
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2c1cccc2C(C)(C)C
InChIInChI=1S/C13H19NO/c1-13(2,3)10-7-5-6-9-11(14-4)8-15-12(9)10/h5-7,11,14H,8H2,1-4H3
InChIKeyHEFQQTRIEXHAHC-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512531) is 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2c1cccc2C(C)(C)C.
What is the InChIKey of 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HEFQQTRIEXHAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)10-7-5-6-9-11(14-4)8-15-12(9)10/h5-7,11,14H,8H2,1-4H3.
What are the key properties of 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).