1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine

C14H19NO — CID 117309972

IUPAC1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
SMILESCc1ccc2c(c1C1(C(C)N)CC1)CCO2
InChIInChI=1S/C14H19NO/c1-9-3-4-12-11(5-8-16-12)13(9)14(6-7-14)10(2)15/h3-4,10H,5-8,15H2,1-2H3
InChIKeyZDXCSMUQPCBEGM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.31
Rot. Bonds2

About 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine

1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine (PubChem CID 117309972) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
PubChem CID117309972
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
SMILESCc1ccc2c(c1C1(C(C)N)CC1)CCO2
InChIInChI=1S/C14H19NO/c1-9-3-4-12-11(5-8-16-12)13(9)14(6-7-14)10(2)15/h3-4,10H,5-8,15H2,1-2H3
InChIKeyZDXCSMUQPCBEGM-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine 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 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine (CID 117309972) is 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine is Cc1ccc2c(c1C1(C(C)N)CC1)CCO2.
What is the InChIKey of 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine?
The InChIKey is ZDXCSMUQPCBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-3-4-12-11(5-8-16-12)13(9)14(6-7-14)10(2)15/h3-4,10H,5-8,15H2,1-2H3.
What are the key properties of 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine?
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117309972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).