1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride

C9H12ClNO — CID 47002851

IUPAC1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2c(c1)COC2
InChIInChI=1S/C9H11NO.ClH/c10-4-7-1-2-8-5-11-6-9(8)3-7;/h1-3H,4-6,10H2;1H
InChIKeyJDRYRWYXGCKYNS-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.60
Rot. Bonds1

About 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride

1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride (PubChem CID 47002851) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
PubChem CID47002851
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2c(c1)COC2
InChIInChI=1S/C9H11NO.ClH/c10-4-7-1-2-8-5-11-6-9(8)3-7;/h1-3H,4-6,10H2;1H
InChIKeyJDRYRWYXGCKYNS-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride (CID 47002851) is 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride is Cl.NCc1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride?
The InChIKey is JDRYRWYXGCKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c10-4-7-1-2-8-5-11-6-9(8)3-7;/h1-3H,4-6,10H2;1H.
What are the key properties of 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride?
1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride is sourced from PubChem (CID 47002851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).