N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C14H23NO — CID 104827925

IUPACN-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)C(C)(C)C
InChIInChI=1S/C14H23NO/c1-10(14(2,3)4)15-12-6-5-7-13-11(12)8-9-16-13/h8-10,12,15H,5-7H2,1-4H3
InChIKeySTABWEXAKYZNCK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.68
Rot. Bonds2

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

N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 104827925) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID104827925
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)C(C)(C)C
InChIInChI=1S/C14H23NO/c1-10(14(2,3)4)15-12-6-5-7-13-11(12)8-9-16-13/h8-10,12,15H,5-7H2,1-4H3
InChIKeySTABWEXAKYZNCK-UHFFFAOYSA-N
XLogP3.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 104827925) is N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(NC1CCCc2occc21)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is STABWEXAKYZNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(14(2,3)4)15-12-6-5-7-13-11(12)8-9-16-13/h8-10,12,15H,5-7H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 221.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 104827925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).