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

C15H15NO — CID 63021121

IUPAC[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ccc3c(c2)COC3)c1
InChIInChI=1S/C15H15NO/c16-8-11-2-1-3-12(6-11)13-4-5-14-9-17-10-15(14)7-13/h1-7H,8-10,16H2
InChIKeyOTRHRZPFUAOBOE-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.84
Rot. Bonds2

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

[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine (PubChem CID 63021121) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
PubChem CID63021121
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ccc3c(c2)COC3)c1
InChIInChI=1S/C15H15NO/c16-8-11-2-1-3-12(6-11)13-4-5-14-9-17-10-15(14)7-13/h1-7H,8-10,16H2
InChIKeyOTRHRZPFUAOBOE-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
The IUPAC name of [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine (CID 63021121) is [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
The canonical SMILES for [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine is NCc1cccc(-c2ccc3c(c2)COC3)c1.
What is the InChIKey of [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
The InChIKey is OTRHRZPFUAOBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c16-8-11-2-1-3-12(6-11)13-4-5-14-9-17-10-15(14)7-13/h1-7H,8-10,16H2.
What are the key properties of [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine is sourced from PubChem (CID 63021121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).