2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide

C13H20BrNO — CID 21419385

IUPAC2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide
SMILESBr.CC(C)NC1CCC2=C(C=CCC2)C1=O
InChIInChI=1S/C13H19NO.BrH/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15;/h4,6,9,12,14H,3,5,7-8H2,1-2H3;1H
InChIKeyINDACGYLDZAAMN-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.94
Rot. Bonds2

About 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide

2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide (PubChem CID 21419385) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide
PubChem CID21419385
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide
SMILESBr.CC(C)NC1CCC2=C(C=CCC2)C1=O
InChIInChI=1S/C13H19NO.BrH/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15;/h4,6,9,12,14H,3,5,7-8H2,1-2H3;1H
InChIKeyINDACGYLDZAAMN-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;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 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide?
The IUPAC name of 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide (CID 21419385) is 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide.
What is the SMILES notation for 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide?
The canonical SMILES for 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide is Br.CC(C)NC1CCC2=C(C=CCC2)C1=O.
What is the InChIKey of 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide?
The InChIKey is INDACGYLDZAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.BrH/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15;/h4,6,9,12,14H,3,5,7-8H2,1-2H3;1H.
What are the key properties of 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide?
2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide has a molecular weight of 286.21 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one;hydrobromide is sourced from PubChem (CID 21419385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).