[(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium

C12H16NO+ — CID 168924314

IUPAC[(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium
SMILESC[NH2+][C@@H](C)Cc1ccc2ccoc2c1
InChIInChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-11-5-6-14-12(11)8-10/h3-6,8-9,13H,7H2,1-2H3/p+1/t9-/m0/s1
InChIKeyQLAAURQYEAEHBO-VIFPVBQESA-O
MW190.27 g/mol
LogP1.56
Rot. Bonds3

About [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium

[(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium (PubChem CID 168924314) has the molecular formula C12H16NO+ and a molecular weight of 190.27 g/mol. Its IUPAC name is [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium.

Molecular Properties

Compound Name[(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium
PubChem CID168924314
Molecular FormulaC12H16NO+
Molecular Weight190.27 g/mol
Exact Mass190.12
IUPAC Name[(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium
SMILESC[NH2+][C@@H](C)Cc1ccc2ccoc2c1
InChIInChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-11-5-6-14-12(11)8-10/h3-6,8-9,13H,7H2,1-2H3/p+1/t9-/m0/s1
InChIKeyQLAAURQYEAEHBO-VIFPVBQESA-O
XLogP1.56
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium?
The IUPAC name of [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium (CID 168924314) is [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium.
What is the SMILES notation for [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium?
The canonical SMILES for [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium is C[NH2+][C@@H](C)Cc1ccc2ccoc2c1.
What is the InChIKey of [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium?
The InChIKey is QLAAURQYEAEHBO-VIFPVBQESA-O. The full InChI is InChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-11-5-6-14-12(11)8-10/h3-6,8-9,13H,7H2,1-2H3/p+1/t9-/m0/s1.
What are the key properties of [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium?
[(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium has a molecular weight of 190.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium is sourced from PubChem (CID 168924314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).