[(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C14H19NO — CID 129394656

IUPAC[(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cccc(C3CCCC3)c2O1
InChIInChI=1S/C14H19NO/c15-9-12-8-11-6-3-7-13(14(11)16-12)10-4-1-2-5-10/h3,6-7,10,12H,1-2,4-5,8-9,15H2/t12-/m1/s1
InChIKeyXKGGSPJXGUCRJL-GFCCVEGCSA-N
MW217.31 g/mol
LogP2.61
Rot. Bonds2

About [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129394656) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129394656
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cccc(C3CCCC3)c2O1
InChIInChI=1S/C14H19NO/c15-9-12-8-11-6-3-7-13(14(11)16-12)10-4-1-2-5-10/h3,6-7,10,12H,1-2,4-5,8-9,15H2/t12-/m1/s1
InChIKeyXKGGSPJXGUCRJL-GFCCVEGCSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129394656) is [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2cccc(C3CCCC3)c2O1.
What is the InChIKey of [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is XKGGSPJXGUCRJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO/c15-9-12-8-11-6-3-7-13(14(11)16-12)10-4-1-2-5-10/h3,6-7,10,12H,1-2,4-5,8-9,15H2/t12-/m1/s1.
What are the key properties of [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129394656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).