N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

C18H27NO — CID 81049926

IUPACN-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCCC(C)c1cccc2c(CCNC(C)(C)C)coc12
InChIInChI=1S/C18H27NO/c1-6-13(2)15-8-7-9-16-14(12-20-17(15)16)10-11-19-18(3,4)5/h7-9,12-13,19H,6,10-11H2,1-5H3
InChIKeyZTAYAPCHLIFLAK-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.88
Rot. Bonds5

About N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 81049926) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID81049926
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCCC(C)c1cccc2c(CCNC(C)(C)C)coc12
InChIInChI=1S/C18H27NO/c1-6-13(2)15-8-7-9-16-14(12-20-17(15)16)10-11-19-18(3,4)5/h7-9,12-13,19H,6,10-11H2,1-5H3
InChIKeyZTAYAPCHLIFLAK-UHFFFAOYSA-N
XLogP4.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (CID 81049926) is N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is CCC(C)c1cccc2c(CCNC(C)(C)C)coc12.
What is the InChIKey of N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is ZTAYAPCHLIFLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-13(2)15-8-7-9-16-14(12-20-17(15)16)10-11-19-18(3,4)5/h7-9,12-13,19H,6,10-11H2,1-5H3.
What are the key properties of N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81049926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).