1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine

C15H21BrN2 — CID 113360675

IUPAC1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCc3cc(Br)ccc32)C1
InChIInChI=1S/C15H21BrN2/c1-10(17)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)15/h3-4,8,10,12,15H,2,5-7,9,17H2,1H3
InChIKeyVSYBLBDSFKOJHM-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.11
Rot. Bonds2

About 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine

1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 113360675) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
PubChem CID113360675
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCc3cc(Br)ccc32)C1
InChIInChI=1S/C15H21BrN2/c1-10(17)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)15/h3-4,8,10,12,15H,2,5-7,9,17H2,1H3
InChIKeyVSYBLBDSFKOJHM-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975645
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
methyl (3S)-1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine-3-carboxylate
CID 164560750
2-[4-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propane-1,3-diol
CID 171524846
[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine
CID 114397824
(7R,8aS)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 171524899
2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522034
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778
2-[4-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
CID 171525185
(2R)-3-[4-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propane-1,2-diol
CID 171524934
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 47002601
[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl] hydrogen carbonate
CID 141293809

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine (CID 113360675) is 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C2CCc3cc(Br)ccc32)C1.
What is the InChIKey of 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is VSYBLBDSFKOJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-10(17)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)15/h3-4,8,10,12,15H,2,5-7,9,17H2,1H3.
What are the key properties of 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 309.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 113360675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).