2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

C16H19FN2 — CID 105372686

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCc1ccc(F)cc1Cn1cc2c(c1)C(N)CCC2
InChIInChI=1S/C16H19FN2/c1-11-5-6-14(17)7-13(11)9-19-8-12-3-2-4-16(18)15(12)10-19/h5-8,10,16H,2-4,9,18H2,1H3
InChIKeyOHRCCFLOYYSGBE-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.32
Rot. Bonds2

About 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 105372686) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID105372686
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCc1ccc(F)cc1Cn1cc2c(c1)C(N)CCC2
InChIInChI=1S/C16H19FN2/c1-11-5-6-14(17)7-13(11)9-19-8-12-3-2-4-16(18)15(12)10-19/h5-8,10,16H,2-4,9,18H2,1H3
InChIKeyOHRCCFLOYYSGBE-UHFFFAOYSA-N
XLogP3.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.32
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-[(2-bromo-4-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213017
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-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212970
5-[(5-fluoro-2-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105370357
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
4-fluoro-2-[(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)methyl]benzonitrile
CID 107906614
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213381
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
3-[(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)methyl]pyridine-2-carbonitrile
CID 83208150

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 105372686) is 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is Cc1ccc(F)cc1Cn1cc2c(c1)C(N)CCC2.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is OHRCCFLOYYSGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-5-6-14(17)7-13(11)9-19-8-12-3-2-4-16(18)15(12)10-19/h5-8,10,16H,2-4,9,18H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 258.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 105372686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).