2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride

C14H20ClN — CID 3068078

IUPAC2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C14H19N.ClH/c15-8-7-14-12-5-1-3-10(12)9-11-4-2-6-13(11)14;/h9H,1-8,15H2;1H
InChIKeyRQPHLSFENCRKGH-UHFFFAOYSA-N
MW237.77 g/mol
LogP2.59
Rot. Bonds2

About 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride

2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride (PubChem CID 3068078) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride
PubChem CID3068078
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C14H19N.ClH/c15-8-7-14-12-5-1-3-10(12)9-11-4-2-6-13(11)14;/h9H,1-8,15H2;1H
InChIKeyRQPHLSFENCRKGH-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-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 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride (CID 3068078) is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride is Cl.NCCc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride?
The InChIKey is RQPHLSFENCRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.ClH/c15-8-7-14-12-5-1-3-10(12)9-11-4-2-6-13(11)14;/h9H,1-8,15H2;1H.
What are the key properties of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride?
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3068078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).