6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine

C12H25BrN4 — CID 174570808

IUPAC6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
SMILESCN.CN.CN.NC1CCc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN.3CH5N/c10-7-3-1-6-2-4-9(11)8(6)5-7;3*1-2/h1,3,5,9H,2,4,11H2;3*2H2,1H3
InChIKeyZLVZSGBCNRMPDV-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.12
Rot. Bonds

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

6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine (PubChem CID 174570808) has the molecular formula C12H25BrN4 and a molecular weight of 305.26 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
PubChem CID174570808
Molecular FormulaC12H25BrN4
Molecular Weight305.26 g/mol
Exact Mass304.13
IUPAC Name6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
SMILESCN.CN.CN.NC1CCc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN.3CH5N/c10-7-3-1-6-2-4-9(11)8(6)5-7;3*1-2/h1,3,5,9H,2,4,11H2;3*2H2,1H3
InChIKeyZLVZSGBCNRMPDV-UHFFFAOYSA-N
XLogP1.12
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine?
The IUPAC name of 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine (CID 174570808) is 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine.
What is the SMILES notation for 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine?
The canonical SMILES for 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine is CN.CN.CN.NC1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine?
The InChIKey is ZLVZSGBCNRMPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.3CH5N/c10-7-3-1-6-2-4-9(11)8(6)5-7;3*1-2/h1,3,5,9H,2,4,11H2;3*2H2,1H3.
What are the key properties of 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine?
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine has a molecular weight of 305.26 g/mol, XLogP of 1.12, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine is sourced from PubChem (CID 174570808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).