1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine

C15H21NO — CID 117335044

IUPAC1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C15H21NO/c1-10(16)15(7-8-15)12-6-4-5-11-9-14(2,3)17-13(11)12/h4-6,10H,7-9,16H2,1-3H3
InChIKeyIEJFIRZSIIUKRL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.78
Rot. Bonds2

About 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine

1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine (PubChem CID 117335044) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine
PubChem CID117335044
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C15H21NO/c1-10(16)15(7-8-15)12-6-4-5-11-9-14(2,3)17-13(11)12/h4-6,10H,7-9,16H2,1-3H3
InChIKeyIEJFIRZSIIUKRL-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine (CID 117335044) is 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine is CC(N)C1(c2cccc3c2OC(C)(C)C3)CC1.
What is the InChIKey of 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine?
The InChIKey is IEJFIRZSIIUKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(16)15(7-8-15)12-6-4-5-11-9-14(2,3)17-13(11)12/h4-6,10H,7-9,16H2,1-3H3.
What are the key properties of 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine?
1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117335044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).