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

C18H21BrN2 — CID 157097766

IUPAC6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(cc1Br)CCC2.Nc1ccc2c(c1)CCC2
InChIInChI=1S/C9H10BrN.C9H11N/c10-8-4-6-2-1-3-7(6)5-9(8)11;10-9-5-4-7-2-1-3-8(7)6-9/h4-5H,1-3,11H2;4-6H,1-3,10H2
InChIKeyAFKFRJZFZXAHGP-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.28
Rot. Bonds

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

6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine (PubChem CID 157097766) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine
PubChem CID157097766
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine
SMILESNc1cc2c(cc1Br)CCC2.Nc1ccc2c(c1)CCC2
InChIInChI=1S/C9H10BrN.C9H11N/c10-8-4-6-2-1-3-7(6)5-9(8)11;10-9-5-4-7-2-1-3-8(7)6-9/h4-5H,1-3,11H2;4-6H,1-3,10H2
InChIKeyAFKFRJZFZXAHGP-UHFFFAOYSA-N
XLogP4.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 11116040
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;hydrochloride
CID 91844882
4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
CID 103008604
6,7,8,9-tetrahydro-5H-benzo[7]annulene-3,7-diamine
CID 67264025
4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine
CID 66112257
2-bromo-5-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)aniline
CID 115558623
6-bromo-2,3-dihydro-1H-isoindol-5-amine
CID 54593310
6-bromo-1,2,3,4-tetrahydroquinolin-7-amine
CID 82391421
4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline
CID 54912598
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyridin-3-amine
CID 103518724
2,4-dibromobutanoyl chloride;2,3-dihydro-1H-inden-5-amine;ethane;formaldehyde
CID 161438899
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82387669

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine (CID 157097766) is 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine is Nc1cc2c(cc1Br)CCC2.Nc1ccc2c(c1)CCC2.
What is the InChIKey of 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine?
The InChIKey is AFKFRJZFZXAHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.C9H11N/c10-8-4-6-2-1-3-7(6)5-9(8)11;10-9-5-4-7-2-1-3-8(7)6-9/h4-5H,1-3,11H2;4-6H,1-3,10H2.
What are the key properties of 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine?
6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine has a molecular weight of 345.28 g/mol, XLogP of 4.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 157097766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).