4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine

C12H14BrClFN — CID 115894734

IUPAC4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFCCCNC1CCc2c(Br)cc(Cl)cc21
InChIInChI=1S/C12H14BrClFN/c13-11-7-8(14)6-10-9(11)2-3-12(10)16-5-1-4-15/h6-7,12,16H,1-5H2
InChIKeyHDVFIIGXBFTSNC-UHFFFAOYSA-N
MW306.61 g/mol
LogP4.04
Rot. Bonds4

About 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine

4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115894734) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115894734
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFCCCNC1CCc2c(Br)cc(Cl)cc21
InChIInChI=1S/C12H14BrClFN/c13-11-7-8(14)6-10-9(11)2-3-12(10)16-5-1-4-15/h6-7,12,16H,1-5H2
InChIKeyHDVFIIGXBFTSNC-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 54.04
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

5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62539244
N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 78978124
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 81687031
2-(3-Bromo-5-chlorophenyl)pyrrolidine
CID 83735489
2-(2-Bromo-4-chloro-6-fluorophenyl)pyrrolidine
CID 84811432
4-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 105540732
1-(3-bromo-5-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 107946061
4-bromo-N-ethyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 108258003
4-bromo-6-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 108258005
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348970
N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348977
4-bromo-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine
CID 115763578

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine (CID 115894734) is 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine is FCCCNC1CCc2c(Br)cc(Cl)cc21.
What is the InChIKey of 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HDVFIIGXBFTSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c13-11-7-8(14)6-10-9(11)2-3-12(10)16-5-1-4-15/h6-7,12,16H,1-5H2.
What are the key properties of 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 306.61 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-N-(3-fluoropropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115894734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).