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

C15H20ClNO2 — CID 162646976

IUPAC[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.Cl
InChIInChI=1S/C15H19NO2.ClH/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;1H/t10-,12+;/m1./s1
InChIKeyFZWYHBPGWPDQNR-IYJPBCIQSA-N
MW281.78 g/mol
LogP2.67
Rot. Bonds5

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

[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride (PubChem CID 162646976) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride
PubChem CID162646976
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.Cl
InChIInChI=1S/C15H19NO2.ClH/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;1H/t10-,12+;/m1./s1
InChIKeyFZWYHBPGWPDQNR-IYJPBCIQSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.67
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;hydrochloride?
The IUPAC name of [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride (CID 162646976) is [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride is C=CCOc1ccc2c(c1[C@H]1C[C@@H]1CN)CCO2.Cl.
What is the InChIKey of [(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is FZWYHBPGWPDQNR-IYJPBCIQSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/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;1H/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;hydrochloride?
[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.67, 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;hydrochloride is sourced from PubChem (CID 162646976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).