N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H23NO2 — CID 107093786

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOC1CC(NC2CCCc3occc32)C1(C)C
InChIInChI=1S/C15H23NO2/c1-15(2)13(9-14(15)17-3)16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,13-14,16H,4-6,9H2,1-3H3
InChIKeyYTGMOFFZKOUMIX-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.06
Rot. Bonds3

About N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 107093786) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID107093786
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCOC1CC(NC2CCCc3occc32)C1(C)C
InChIInChI=1S/C15H23NO2/c1-15(2)13(9-14(15)17-3)16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,13-14,16H,4-6,9H2,1-3H3
InChIKeyYTGMOFFZKOUMIX-UHFFFAOYSA-N
XLogP3.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 107093786) is N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is COC1CC(NC2CCCc3occc32)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is YTGMOFFZKOUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2)13(9-14(15)17-3)16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,13-14,16H,4-6,9H2,1-3H3.
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 249.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 107093786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).