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

C18H27NO — CID 81049411

IUPACN-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1coc2c(C(C)(C)C)cccc12
InChIInChI=1S/C18H27NO/c1-17(2,3)15-9-7-8-14-13(12-20-16(14)15)10-11-19-18(4,5)6/h7-9,12,19H,10-11H2,1-6H3
InChIKeyBHONCVWZTHTYGC-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.66
Rot. Bonds3

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

N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 81049411) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID81049411
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1coc2c(C(C)(C)C)cccc12
InChIInChI=1S/C18H27NO/c1-17(2,3)15-9-7-8-14-13(12-20-16(14)15)10-11-19-18(4,5)6/h7-9,12,19H,10-11H2,1-6H3
InChIKeyBHONCVWZTHTYGC-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (CID 81049411) is N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1coc2c(C(C)(C)C)cccc12.
What is the InChIKey of N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is BHONCVWZTHTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)15-9-7-8-14-13(12-20-16(14)15)10-11-19-18(4,5)6/h7-9,12,19H,10-11H2,1-6H3.
What are the key properties of N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81049411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).