5-methyl-5,6-dihydronaphthalen-2-amine

C11H13N — CID 139515733

IUPAC5-methyl-5,6-dihydronaphthalen-2-amine
SMILESCC1CC=Cc2cc(N)ccc21
InChIInChI=1S/C11H13N/c1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2,4-8H,3,12H2,1H3
InChIKeyBJVWVMACCCQKGN-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.79
Rot. Bonds

About 5-methyl-5,6-dihydronaphthalen-2-amine

5-methyl-5,6-dihydronaphthalen-2-amine (PubChem CID 139515733) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-methyl-5,6-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methyl-5,6-dihydronaphthalen-2-amine
PubChem CID139515733
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-methyl-5,6-dihydronaphthalen-2-amine
SMILESCC1CC=Cc2cc(N)ccc21
InChIInChI=1S/C11H13N/c1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2,4-8H,3,12H2,1H3
InChIKeyBJVWVMACCCQKGN-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-5,6-dihydronaphthalen-2-amine 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 5-methyl-5,6-dihydronaphthalen-2-amine?
The IUPAC name of 5-methyl-5,6-dihydronaphthalen-2-amine (CID 139515733) is 5-methyl-5,6-dihydronaphthalen-2-amine.
What is the SMILES notation for 5-methyl-5,6-dihydronaphthalen-2-amine?
The canonical SMILES for 5-methyl-5,6-dihydronaphthalen-2-amine is CC1CC=Cc2cc(N)ccc21.
What is the InChIKey of 5-methyl-5,6-dihydronaphthalen-2-amine?
The InChIKey is BJVWVMACCCQKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2,4-8H,3,12H2,1H3.
What are the key properties of 5-methyl-5,6-dihydronaphthalen-2-amine?
5-methyl-5,6-dihydronaphthalen-2-amine has a molecular weight of 159.23 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6-dihydronaphthalen-2-amine is sourced from PubChem (CID 139515733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).