2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

C15H16BrFN2 — CID 83213017

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3ccc(F)cc3Br)cc21
InChIInChI=1S/C15H16BrFN2/c16-14-6-12(17)5-4-11(14)8-19-7-10-2-1-3-15(18)13(10)9-19/h4-7,9,15H,1-3,8,18H2
InChIKeySJDRKJFEWFQVGO-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.77
Rot. Bonds2

About 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213017) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213017
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3ccc(F)cc3Br)cc21
InChIInChI=1S/C15H16BrFN2/c16-14-6-12(17)5-4-11(14)8-19-7-10-2-1-3-15(18)13(10)9-19/h4-7,9,15H,1-3,8,18H2
InChIKeySJDRKJFEWFQVGO-UHFFFAOYSA-N
XLogP3.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 102617124
2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 105372686
2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 103047441
2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212678
2-[(2-bromo-4-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208843
2-[(4-bromothiophen-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212520
2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212352
2-[(2-nitrophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210971
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83207921
2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213515
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212970

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213017) is 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(Cc3ccc(F)cc3Br)cc21.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is SJDRKJFEWFQVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c16-14-6-12(17)5-4-11(14)8-19-7-10-2-1-3-15(18)13(10)9-19/h4-7,9,15H,1-3,8,18H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 323.21 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).