3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine

C15H19NO — CID 81417499

IUPAC3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2cc3ccccc3o2)C1(C)C
InChIInChI=1S/C15H19NO/c1-15(2)11(9-14(15)16-3)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,14,16H,9H2,1-3H3
InChIKeyQTGBWPIHYPVQQW-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.53
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine

3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 81417499) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID81417499
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2cc3ccccc3o2)C1(C)C
InChIInChI=1S/C15H19NO/c1-15(2)11(9-14(15)16-3)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,14,16H,9H2,1-3H3
InChIKeyQTGBWPIHYPVQQW-UHFFFAOYSA-N
XLogP3.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
CID 114911379
2-cyclopropyl-1-benzofuran
CID 12528043
1-[2-(1-benzofuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367665
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
CID 118967498
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
3-(5-bromo-1-benzofuran-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 81416439
N-[[2-(1-benzofuran-2-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 114735873
1-[2-(1-benzofuran-2-yl)-4-propylcyclohexyl]-N-methylmethanamine
CID 114735864
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
3-(1-benzofuran-2-yl)-2-methylpyrrolidine
CID 63897339

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine (CID 81417499) is 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine is CNC1CC(c2cc3ccccc3o2)C1(C)C.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is QTGBWPIHYPVQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2)11(9-14(15)16-3)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,14,16H,9H2,1-3H3.
What are the key properties of 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 81417499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).