4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C13H15BrN4 — CID 113374920

IUPAC4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NCCn1ccnn1
InChIInChI=1S/C13H15BrN4/c14-12-3-1-2-11-10(12)4-5-13(11)15-6-8-18-9-7-16-17-18/h1-3,7,9,13,15H,4-6,8H2
InChIKeyCYYQOOSYMOSZDI-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.32
Rot. Bonds4

About 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 113374920) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID113374920
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NCCn1ccnn1
InChIInChI=1S/C13H15BrN4/c14-12-3-1-2-11-10(12)4-5-13(11)15-6-8-18-9-7-16-17-18/h1-3,7,9,13,15H,4-6,8H2
InChIKeyCYYQOOSYMOSZDI-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 97109946
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 103910257
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
1-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(triazol-1-yl)ethyl]urea
CID 75453691
4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 114185903
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103846439
4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 103910363
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 113374920) is 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Brc1cccc2c1CCC2NCCn1ccnn1.
What is the InChIKey of 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CYYQOOSYMOSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-12-3-1-2-11-10(12)4-5-13(11)15-6-8-18-9-7-16-17-18/h1-3,7,9,13,15H,4-6,8H2.
What are the key properties of 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 307.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113374920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).