N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine

C17H26FNO — CID 66362836

IUPACN-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine
SMILESCC(CCC1Cc2cc(F)ccc2O1)CNC(C)(C)C
InChIInChI=1S/C17H26FNO/c1-12(11-19-17(2,3)4)5-7-15-10-13-9-14(18)6-8-16(13)20-15/h6,8-9,12,15,19H,5,7,10-11H2,1-4H3
InChIKeyRWGBRLPSTHJUDD-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.93
Rot. Bonds5

About N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine

N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine (PubChem CID 66362836) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine
PubChem CID66362836
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine
SMILESCC(CCC1Cc2cc(F)ccc2O1)CNC(C)(C)C
InChIInChI=1S/C17H26FNO/c1-12(11-19-17(2,3)4)5-7-15-10-13-9-14(18)6-8-16(13)20-15/h6,8-9,12,15,19H,5,7,10-11H2,1-4H3
InChIKeyRWGBRLPSTHJUDD-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine (CID 66362836) is N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine is CC(CCC1Cc2cc(F)ccc2O1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine?
The InChIKey is RWGBRLPSTHJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12(11-19-17(2,3)4)5-7-15-10-13-9-14(18)6-8-16(13)20-15/h6,8-9,12,15,19H,5,7,10-11H2,1-4H3.
What are the key properties of N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine?
N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 66362836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).