5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine

C15H22BrN — CID 63455836

IUPAC5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCC(NC1CCc2cc(Br)ccc21)C(C)C
InChIInChI=1S/C15H22BrN/c1-4-14(10(2)3)17-15-8-5-11-9-12(16)6-7-13(11)15/h6-7,9-10,14-15,17H,4-5,8H2,1-3H3
InChIKeyMJKAYTDWAJLHMI-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.46
Rot. Bonds4

About 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63455836) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID63455836
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCC(NC1CCc2cc(Br)ccc21)C(C)C
InChIInChI=1S/C15H22BrN/c1-4-14(10(2)3)17-15-8-5-11-9-12(16)6-7-13(11)15/h6-7,9-10,14-15,17H,4-5,8H2,1-3H3
InChIKeyMJKAYTDWAJLHMI-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61070069
2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61070816
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81369563
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591515
5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine
CID 63420383
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 104926175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine (CID 63455836) is 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine is CCC(NC1CCc2cc(Br)ccc21)C(C)C.
What is the InChIKey of 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MJKAYTDWAJLHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-4-14(10(2)3)17-15-8-5-11-9-12(16)6-7-13(11)15/h6-7,9-10,14-15,17H,4-5,8H2,1-3H3.
What are the key properties of 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63455836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).