[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride

C14H16ClNO — CID 44572305

IUPAC[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H15NO.ClH/c15-9-12-8-13(12)10-3-5-11(6-4-10)14-2-1-7-16-14;/h1-7,12-13H,8-9,15H2;1H/t12-,13-;/m1./s1
InChIKeyOAVBQCLYBLUERM-OJERSXHUSA-N
MW249.74 g/mol
LogP3.43
Rot. Bonds3

About [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 44572305) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID44572305
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H15NO.ClH/c15-9-12-8-13(12)10-3-5-11(6-4-10)14-2-1-7-16-14;/h1-7,12-13H,8-9,15H2;1H/t12-,13-;/m1./s1
InChIKeyOAVBQCLYBLUERM-OJERSXHUSA-N
XLogP3.43
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride (CID 44572305) is [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1.
What is the InChIKey of [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is OAVBQCLYBLUERM-OJERSXHUSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c15-9-12-8-13(12)10-3-5-11(6-4-10)14-2-1-7-16-14;/h1-7,12-13H,8-9,15H2;1H/t12-,13-;/m1./s1.
What are the key properties of [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).