5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine

C10H12BrN — CID 146380579

IUPAC5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
SMILESCc1cc2c(c(N)c1Br)CCC2
InChIInChI=1S/C10H12BrN/c1-6-5-7-3-2-4-8(7)10(12)9(6)11/h5H,2-4,12H2,1H3
InChIKeyBDNZTBCACDHZBI-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.83
Rot. Bonds

About 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine

5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine (PubChem CID 146380579) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
PubChem CID146380579
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
SMILESCc1cc2c(c(N)c1Br)CCC2
InChIInChI=1S/C10H12BrN/c1-6-5-7-3-2-4-8(7)10(12)9(6)11/h5H,2-4,12H2,1H3
InChIKeyBDNZTBCACDHZBI-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
CID 171560787
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
CID 89263327
CID 89263327
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
3-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 12835985
7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine
CID 170283398
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
CID 122480718
5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine
CID 142522585
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 146610837
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 146303850
3-methoxy-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 165370015

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine (CID 146380579) is 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine is Cc1cc2c(c(N)c1Br)CCC2.
What is the InChIKey of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine?
The InChIKey is BDNZTBCACDHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-6-5-7-3-2-4-8(7)10(12)9(6)11/h5H,2-4,12H2,1H3.
What are the key properties of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine?
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine has a molecular weight of 226.12 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 146380579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).