[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H14ClNO — CID 129383335

IUPAC[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(Cl)cc(-c3ccccc3)c2O1
InChIInChI=1S/C15H14ClNO/c16-12-6-11-7-13(9-17)18-15(11)14(8-12)10-4-2-1-3-5-10/h1-6,8,13H,7,9,17H2/t13-/m1/s1
InChIKeyPLOMJZAUHRUVRN-CYBMUJFWSA-N
MW259.74 g/mol
LogP3.27
Rot. Bonds2

About [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129383335) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129383335
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(Cl)cc(-c3ccccc3)c2O1
InChIInChI=1S/C15H14ClNO/c16-12-6-11-7-13(9-17)18-15(11)14(8-12)10-4-2-1-3-5-10/h1-6,8,13H,7,9,17H2/t13-/m1/s1
InChIKeyPLOMJZAUHRUVRN-CYBMUJFWSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129383335) is [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2cc(Cl)cc(-c3ccccc3)c2O1.
What is the InChIKey of [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is PLOMJZAUHRUVRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-12-6-11-7-13(9-17)18-15(11)14(8-12)10-4-2-1-3-5-10/h1-6,8,13H,7,9,17H2/t13-/m1/s1.
What are the key properties of [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 259.74 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129383335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).