5-bromo-1-deuterio-2,3-dihydroinden-1-amine

C9H10BrN — CID 172734129

IUPAC5-bromo-1-deuterio-2,3-dihydroinden-1-amine
SMILES[2H]C1(N)CCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2/i9D
InChIKeyIEUKCNPRRGOGDG-QOWOAITPSA-N
MW213.10 g/mol
LogP2.40
Rot. Bonds

About 5-bromo-1-deuterio-2,3-dihydroinden-1-amine

5-bromo-1-deuterio-2,3-dihydroinden-1-amine (PubChem CID 172734129) has the molecular formula C9H10BrN and a molecular weight of 213.10 g/mol. Its IUPAC name is 5-bromo-1-deuterio-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name5-bromo-1-deuterio-2,3-dihydroinden-1-amine
PubChem CID172734129
Molecular FormulaC9H10BrN
Molecular Weight213.10 g/mol
Exact Mass212.01
IUPAC Name5-bromo-1-deuterio-2,3-dihydroinden-1-amine
SMILES[2H]C1(N)CCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2/i9D
InChIKeyIEUKCNPRRGOGDG-QOWOAITPSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine
CID 55062243
5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349548
(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 167334523
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 18469942
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 47002601
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropan-1-amine
CID 83693764
2-bromo-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167601855
(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 67280135
6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 174249169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-deuterio-2,3-dihydroinden-1-amine?
The IUPAC name of 5-bromo-1-deuterio-2,3-dihydroinden-1-amine (CID 172734129) is 5-bromo-1-deuterio-2,3-dihydroinden-1-amine.
What is the SMILES notation for 5-bromo-1-deuterio-2,3-dihydroinden-1-amine?
The canonical SMILES for 5-bromo-1-deuterio-2,3-dihydroinden-1-amine is [2H]C1(N)CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-deuterio-2,3-dihydroinden-1-amine?
The InChIKey is IEUKCNPRRGOGDG-QOWOAITPSA-N. The full InChI is InChI=1S/C9H10BrN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2/i9D.
What are the key properties of 5-bromo-1-deuterio-2,3-dihydroinden-1-amine?
5-bromo-1-deuterio-2,3-dihydroinden-1-amine has a molecular weight of 213.10 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-deuterio-2,3-dihydroinden-1-amine is sourced from PubChem (CID 172734129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).