(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride

C10H14ClNO — CID 29839

IUPAC(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride
SMILESCc1ccc2c(c1)CC(C[NH3+])O2.[Cl-]
InChIInChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(6-11)12-10;/h2-4,9H,5-6,11H2,1H3;1H
InChIKeyHWXTXJHVPJXFLQ-UHFFFAOYSA-N
MW199.68 g/mol
LogP-2.46
Rot. Bonds1

About (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride

(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride (PubChem CID 29839) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride.

Molecular Properties

Compound Name(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride
PubChem CID29839
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride
SMILESCc1ccc2c(c1)CC(C[NH3+])O2.[Cl-]
InChIInChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(6-11)12-10;/h2-4,9H,5-6,11H2,1H3;1H
InChIKeyHWXTXJHVPJXFLQ-UHFFFAOYSA-N
XLogP-2.46
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride?
The IUPAC name of (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride (CID 29839) is (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride.
What is the SMILES notation for (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride?
The canonical SMILES for (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride is Cc1ccc2c(c1)CC(C[NH3+])O2.[Cl-].
What is the InChIKey of (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride?
The InChIKey is HWXTXJHVPJXFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(6-11)12-10;/h2-4,9H,5-6,11H2,1H3;1H.
What are the key properties of (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride?
(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride has a molecular weight of 199.68 g/mol, XLogP of -2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylazanium chloride is sourced from PubChem (CID 29839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).