7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

C16H25NO — CID 43512082

IUPAC7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(C(C)(C)C)c2c1C(NC(C)C)CO2
InChIInChI=1S/C16H25NO/c1-10(2)17-13-9-18-15-12(16(4,5)6)8-7-11(3)14(13)15/h7-8,10,13,17H,9H2,1-6H3
InChIKeyALVYAMVTORVNLE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds2

About 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512082) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512082
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(C(C)(C)C)c2c1C(NC(C)C)CO2
InChIInChI=1S/C16H25NO/c1-10(2)17-13-9-18-15-12(16(4,5)6)8-7-11(3)14(13)15/h7-8,10,13,17H,9H2,1-6H3
InChIKeyALVYAMVTORVNLE-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 43512082) is 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is Cc1ccc(C(C)(C)C)c2c1C(NC(C)C)CO2.
What is the InChIKey of 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ALVYAMVTORVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10(2)17-13-9-18-15-12(16(4,5)6)8-7-11(3)14(13)15/h7-8,10,13,17H,9H2,1-6H3.
What are the key properties of 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).