1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride

C14H18ClNO — CID 47003149

IUPAC1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride
SMILESCc1c(C(C)N)oc2cc3c(cc12)CCC3.Cl
InChIInChI=1S/C14H17NO.ClH/c1-8-12-6-10-4-3-5-11(10)7-13(12)16-14(8)9(2)15;/h6-7,9H,3-5,15H2,1-2H3;1H
InChIKeyVZDZSKUZUJQPQE-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.67
Rot. Bonds1

About 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride

1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride (PubChem CID 47003149) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride
PubChem CID47003149
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride
SMILESCc1c(C(C)N)oc2cc3c(cc12)CCC3.Cl
InChIInChI=1S/C14H17NO.ClH/c1-8-12-6-10-4-3-5-11(10)7-13(12)16-14(8)9(2)15;/h6-7,9H,3-5,15H2,1-2H3;1H
InChIKeyVZDZSKUZUJQPQE-UHFFFAOYSA-N
XLogP3.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;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-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride (CID 47003149) is 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride is Cc1c(C(C)N)oc2cc3c(cc12)CCC3.Cl.
What is the InChIKey of 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride?
The InChIKey is VZDZSKUZUJQPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.ClH/c1-8-12-6-10-4-3-5-11(10)7-13(12)16-14(8)9(2)15;/h6-7,9H,3-5,15H2,1-2H3;1H.
What are the key properties of 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride?
1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 47003149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).