7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C17H27NO — CID 63398773

IUPAC7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(C)cc(C(C)(C)C)c2OC1C
InChIInChI=1S/C17H27NO/c1-7-8-18-15-12(3)19-16-13(15)9-11(2)10-14(16)17(4,5)6/h9-10,12,15,18H,7-8H2,1-6H3
InChIKeyOIVBMNZESPLNCN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds3

About 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63398773) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63398773
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(C)cc(C(C)(C)C)c2OC1C
InChIInChI=1S/C17H27NO/c1-7-8-18-15-12(3)19-16-13(15)9-11(2)10-14(16)17(4,5)6/h9-10,12,15,18H,7-8H2,1-6H3
InChIKeyOIVBMNZESPLNCN-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 63398773) is 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(C)cc(C(C)(C)C)c2OC1C.
What is the InChIKey of 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OIVBMNZESPLNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-8-18-15-12(3)19-16-13(15)9-11(2)10-14(16)17(4,5)6/h9-10,12,15,18H,7-8H2,1-6H3.
What are the key properties of 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 261.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,5-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63398773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).