2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

C15H17FN2 — CID 83212678

IUPAC2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3cccc(F)c3)cc21
InChIInChI=1S/C15H17FN2/c16-13-5-1-3-11(7-13)8-18-9-12-4-2-6-15(17)14(12)10-18/h1,3,5,7,9-10,15H,2,4,6,8,17H2
InChIKeySUOKTMVQMTYOST-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.01
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212678) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212678
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3cccc(F)c3)cc21
InChIInChI=1S/C15H17FN2/c16-13-5-1-3-11(7-13)8-18-9-12-4-2-6-15(17)14(12)10-18/h1,3,5,7,9-10,15H,2,4,6,8,17H2
InChIKeySUOKTMVQMTYOST-UHFFFAOYSA-N
XLogP3.01
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213017
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-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212970
2-[(3,5-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 105405060
2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208201
2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208236
1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335994
2-[(4-bromothiophen-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212520
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83207749
2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile
CID 83208428

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212678) is 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(Cc3cccc(F)c3)cc21.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is SUOKTMVQMTYOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-13-5-1-3-11(7-13)8-18-9-12-4-2-6-15(17)14(12)10-18/h1,3,5,7,9-10,15H,2,4,6,8,17H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 244.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83212678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).