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

C14H15NO — CID 44572306

IUPAC[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H15NO/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/t12-,13-/m1/s1
InChIKeyJSZYANZDIBVBQR-CHWSQXEVSA-N
MW213.28 g/mol
LogP3.01
Rot. Bonds3

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

[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine (PubChem CID 44572306) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine
PubChem CID44572306
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H15NO/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/t12-,13-/m1/s1
InChIKeyJSZYANZDIBVBQR-CHWSQXEVSA-N
XLogP3.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.01
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?
The IUPAC name of [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine (CID 44572306) is [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine is NC[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1.
What is the InChIKey of [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine?
The InChIKey is JSZYANZDIBVBQR-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H15NO/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/t12-,13-/m1/s1.
What are the key properties of [(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine?
[(1S,2S)-2-[4-(furan-2-yl)phenyl]cyclopropyl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 3.01, 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 is sourced from PubChem (CID 44572306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).