[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine

C15H19NO2 — CID 146025684

IUPAC[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
SMILESC=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2
InChIInChI=1S/C15H19NO2/c1-2-6-17-14-4-3-13-11(5-7-18-13)15(14)12-8-10(12)9-16/h2-4,10,12H,1,5-9,16H2/t10-,12+/m1/s1
InChIKeyDPQLVLTYJLTOLU-PWSUYJOCSA-N
MW245.32 g/mol
LogP2.25
Rot. Bonds5

About [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine

[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine (PubChem CID 146025684) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
PubChem CID146025684
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
SMILESC=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2
InChIInChI=1S/C15H19NO2/c1-2-6-17-14-4-3-13-11(5-7-18-13)15(14)12-8-10(12)9-16/h2-4,10,12H,1,5-9,16H2/t10-,12+/m1/s1
InChIKeyDPQLVLTYJLTOLU-PWSUYJOCSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine?
The IUPAC name of [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine (CID 146025684) is [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine is C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.
What is the InChIKey of [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine?
The InChIKey is DPQLVLTYJLTOLU-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-6-17-14-4-3-13-11(5-7-18-13)15(14)12-8-10(12)9-16/h2-4,10,12H,1,5-9,16H2/t10-,12+/m1/s1.
What are the key properties of [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine?
[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine has a molecular weight of 245.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 146025684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).