4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine

C12H15BrFN — CID 115763578

IUPAC4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFCCCNC1CCc2c(Br)cccc21
InChIInChI=1S/C12H15BrFN/c13-11-4-1-3-10-9(11)5-6-12(10)15-8-2-7-14/h1,3-4,12,15H,2,5-8H2
InChIKeyUIGJHDHMLIEPEV-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.39
Rot. Bonds4

About 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine

4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115763578) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115763578
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFCCCNC1CCc2c(Br)cccc21
InChIInChI=1S/C12H15BrFN/c13-11-4-1-3-10-9(11)5-6-12(10)15-8-2-7-14/h1,3-4,12,15H,2,5-8H2
InChIKeyUIGJHDHMLIEPEV-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Bromophenyl)pyrrolidine
CID 4202301
5-Bromo-1-prop-2-enyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 12089216
4-bromo-2,3-dihydro-1H-isoindole
CID 14795870
6-Bromo-2,3-dihydro-1H-inden-1-amine
CID 16244315
4-Bromo-Isoindoline HCl
CID 44228644
4-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 50988684
(R)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 53485127
(1S)-5-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 57355775
5-Bromo-1,2,3,4-tetrahydro-1-methylisoquinoline
CID 59662594
4-bromo-7-fluoro-2,3-dihydro-1H-isoindole
CID 84049417
8-Bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 84693243
(1R)-6-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 91828043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine (CID 115763578) is 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine is FCCCNC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UIGJHDHMLIEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-11-4-1-3-10-9(11)5-6-12(10)15-8-2-7-14/h1,3-4,12,15H,2,5-8H2.
What are the key properties of 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115763578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).