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

C16H23NO — CID 43512651

IUPAC5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1cc(C(C)(C)C)cc2c1OCC2NC1CC1
InChIInChI=1S/C16H23NO/c1-10-7-11(16(2,3)4)8-13-14(9-18-15(10)13)17-12-5-6-12/h7-8,12,14,17H,5-6,9H2,1-4H3
InChIKeyYDJYSLCRCYLFOG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.48
Rot. Bonds2

About 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine

5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512651) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512651
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1cc(C(C)(C)C)cc2c1OCC2NC1CC1
InChIInChI=1S/C16H23NO/c1-10-7-11(16(2,3)4)8-13-14(9-18-15(10)13)17-12-5-6-12/h7-8,12,14,17H,5-6,9H2,1-4H3
InChIKeyYDJYSLCRCYLFOG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512651) is 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine is Cc1cc(C(C)(C)C)cc2c1OCC2NC1CC1.
What is the InChIKey of 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YDJYSLCRCYLFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-7-11(16(2,3)4)8-13-14(9-18-15(10)13)17-12-5-6-12/h7-8,12,14,17H,5-6,9H2,1-4H3.
What are the key properties of 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 245.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).