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

C9H10BrN — CID 22400274

IUPAC6-bromo-2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(cc1Br)CCC2
InChIInChI=1S/C9H10BrN/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5H,1-3,11H2
InChIKeySZFFECLZIYWBBD-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.52
Rot. Bonds

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

6-bromo-2,3-dihydro-1H-inden-5-amine (PubChem CID 22400274) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1H-inden-5-amine
PubChem CID22400274
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name6-bromo-2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(cc1Br)CCC2
InChIInChI=1S/C9H10BrN/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5H,1-3,11H2
InChIKeySZFFECLZIYWBBD-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-2,3-dihydro-1H-inden-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-bromonaphthalene
CID 348404
2-Amino-7-bromofluorene
CID 23126
2-Naphthalenamine, 3-bromo-
CID 97027
2,7-Dibromo-9H-fluoren-4-amine
CID 15697
2-Bromo-4-isopropylaniline
CID 521337
3-bromo-9H-fluorene-2,7-diamine
CID 267843
4-(2-Aminopropyl)-2-bromo-5-methylaniline
CID 9991995
1-bromo-9H-fluoren-2-amine
CID 255026
7-Bromonaphthalen-2-amine
CID 22240243
N-(2-amino-3-bromofluoren-9-ylidene)hydroxylamine
CID 267221
3-Bromo-5,6,7,8-tetrahydronaphthalen-2-amine
CID 22400297
Fluorene-2,7-diamine, 1,3,6,8-tetrabromo-
CID 52306

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 6-bromo-2,3-dihydro-1H-inden-5-amine (CID 22400274) is 6-bromo-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 6-bromo-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 6-bromo-2,3-dihydro-1H-inden-5-amine is Nc1cc2c(cc1Br)CCC2.
What is the InChIKey of 6-bromo-2,3-dihydro-1H-inden-5-amine?
The InChIKey is SZFFECLZIYWBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5H,1-3,11H2.
What are the key properties of 6-bromo-2,3-dihydro-1H-inden-5-amine?
6-bromo-2,3-dihydro-1H-inden-5-amine has a molecular weight of 212.09 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 22400274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).