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

C15H14ClNO — CID 66155912

IUPAC[5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C15H14ClNO/c16-14-3-4-15(12(6-14)7-17)10-1-2-11-8-18-9-13(11)5-10/h1-6H,7-9,17H2
InChIKeyFUQHNHVMNUBZDE-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.50
Rot. Bonds2

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

[5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine (PubChem CID 66155912) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
PubChem CID66155912
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name[5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C15H14ClNO/c16-14-3-4-15(12(6-14)7-17)10-1-2-11-8-18-9-13(11)5-10/h1-6H,7-9,17H2
InChIKeyFUQHNHVMNUBZDE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine (CID 66155912) is [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine is NCc1cc(Cl)ccc1-c1ccc2c(c1)COC2.
What is the InChIKey of [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
The InChIKey is FUQHNHVMNUBZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-14-3-4-15(12(6-14)7-17)10-1-2-11-8-18-9-13(11)5-10/h1-6H,7-9,17H2.
What are the key properties of [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine?
[5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine has a molecular weight of 259.74 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine is sourced from PubChem (CID 66155912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).