1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate

C13H14Br2N2O — CID 174675161

IUPAC1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate
SMILESNc1c2c(nc3ccccc13)CCCC2(Br)Br.O
InChIInChI=1S/C13H12Br2N2.H2O/c14-13(15)7-3-6-10-11(13)12(16)8-4-1-2-5-9(8)17-10;/h1-2,4-5H,3,6-7H2,(H2,16,17);1H2
InChIKeyOZVWVTGNXIHNEQ-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.27
Rot. Bonds

About 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate

1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate (PubChem CID 174675161) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate.

Molecular Properties

Compound Name1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate
PubChem CID174675161
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate
SMILESNc1c2c(nc3ccccc13)CCCC2(Br)Br.O
InChIInChI=1S/C13H12Br2N2.H2O/c14-13(15)7-3-6-10-11(13)12(16)8-4-1-2-5-9(8)17-10;/h1-2,4-5H,3,6-7H2,(H2,16,17);1H2
InChIKeyOZVWVTGNXIHNEQ-UHFFFAOYSA-N
XLogP3.27
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-methyl-3,4-dihydro-2H-acridin-9-amine
CID 70232467
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
CID 57191889
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
acridin-9-amine;λ2-plumbane
CID 173496858
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
CID 57098793
1-pyridin-3-yl-1,2,3,4-tetrahydroacridin-9-amine
CID 175776950
3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
CID 54109780
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82449852

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate?
The IUPAC name of 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate (CID 174675161) is 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate.
What is the SMILES notation for 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate?
The canonical SMILES for 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate is Nc1c2c(nc3ccccc13)CCCC2(Br)Br.O.
What is the InChIKey of 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate?
The InChIKey is OZVWVTGNXIHNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2.H2O/c14-13(15)7-3-6-10-11(13)12(16)8-4-1-2-5-9(8)17-10;/h1-2,4-5H,3,6-7H2,(H2,16,17);1H2.
What are the key properties of 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate?
1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate has a molecular weight of 374.08 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3,4-dihydro-2H-acridin-9-amine;hydrate is sourced from PubChem (CID 174675161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).