2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C18H19BrN2 — CID 114522034

IUPAC2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(C1CCc3cc(Br)ccc31)CC2
InChIInChI=1S/C18H19BrN2/c19-14-5-6-15-13(10-14)4-7-18(15)21-9-8-12-2-1-3-17(20)16(12)11-21/h1-3,5-6,10,18H,4,7-9,11,20H2
InChIKeyBDLDAWVXZUIKFF-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.08
Rot. Bonds1

About 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114522034) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114522034
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(C1CCc3cc(Br)ccc31)CC2
InChIInChI=1S/C18H19BrN2/c19-14-5-6-15-13(10-14)4-7-18(15)21-9-8-12-2-1-3-17(20)16(12)11-21/h1-3,5-6,10,18H,4,7-9,11,20H2
InChIKeyBDLDAWVXZUIKFF-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-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-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 116531428
3-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-methylpyrrolidin-2-one
CID 114523980
[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine
CID 114397824
1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 113360675
2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
CID 171525185
2-(1-azabicyclo[2.2.2]octan-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522103
2-[4-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propane-1,3-diol
CID 171524846
2-(1,1-dioxothian-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522543
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-bromo-2-chlorophenyl)methanone
CID 114522888
(7R,8aS)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 171524899
2-(2-methylthian-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522069
2-[4-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522338

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114522034) is 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(C1CCc3cc(Br)ccc31)CC2.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is BDLDAWVXZUIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c19-14-5-6-15-13(10-14)4-7-18(15)21-9-8-12-2-1-3-17(20)16(12)11-21/h1-3,5-6,10,18H,4,7-9,11,20H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 343.27 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114522034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).