3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide

C15H22BrNO2 — CID 67424820

IUPAC3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide
SMILESBr.CC(=O)OCCCc1cccc2c1CCC(N)C2
InChIInChI=1S/C15H21NO2.BrH/c1-11(17)18-9-3-6-12-4-2-5-13-10-14(16)7-8-15(12)13;/h2,4-5,14H,3,6-10,16H2,1H3;1H
InChIKeyJFWIPEQWJBDWLG-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.58
Rot. Bonds4

About 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide

3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide (PubChem CID 67424820) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide.

Molecular Properties

Compound Name3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide
PubChem CID67424820
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide
SMILESBr.CC(=O)OCCCc1cccc2c1CCC(N)C2
InChIInChI=1S/C15H21NO2.BrH/c1-11(17)18-9-3-6-12-4-2-5-13-10-14(16)7-8-15(12)13;/h2,4-5,14H,3,6-10,16H2,1H3;1H
InChIKeyJFWIPEQWJBDWLG-UHFFFAOYSA-N
XLogP2.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide 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 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide?
The IUPAC name of 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide (CID 67424820) is 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide.
What is the SMILES notation for 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide?
The canonical SMILES for 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide is Br.CC(=O)OCCCc1cccc2c1CCC(N)C2.
What is the InChIKey of 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide?
The InChIKey is JFWIPEQWJBDWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.BrH/c1-11(17)18-9-3-6-12-4-2-5-13-10-14(16)7-8-15(12)13;/h2,4-5,14H,3,6-10,16H2,1H3;1H.
What are the key properties of 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide?
3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide has a molecular weight of 328.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)propyl acetate;hydrobromide is sourced from PubChem (CID 67424820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).