5-(Phenylmethyl)-2-furanmethanamine

HCID 23130620

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Basic information

CAS: 30263-40-2
Standard SMILES: NCc1ccc(Cc2ccccc2)o1
InChIKey: XEZYLPQDMDYBRK-UHFFFAOYSA-N
Molecular formula: C12H13NO
Average molar mass: 187.24 g/mol
Monoisotopic mass: 187.09971404

Names & identifiers

Preferred name: 5-(Phenylmethyl)-2-furanmethanamine
IUPAC: (5-benzylfuran-2-yl)methanamine

Names & synonyms

30263-40-2SCHEMBL1680764XEZYLPQDMDYBRK-UHFFFAOYSA-NDTXSID2012931111-(5-Benzylfuran-2-yl)methanamine5-(Phenylmethyl)-2-furanmethanamineC-(5-benzyl-furan-2-yl)methylamine

Database identifiers

CAS: 30263-40-2
PubChem CID: 23130620
DTXSID: DTXSID201293111

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 166

Related reactions

1 records

New reaction record

HRID 2080254As productuspto-grants-2011_04

Compound notes

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