6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one

C16H15FN2O — CID 105374797

IUPAC6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one
SMILESCc1ccc(F)cc1CN1Cc2ccc(N)cc2C1=O
InChIInChI=1S/C16H15FN2O/c1-10-2-4-13(17)6-12(10)9-19-8-11-3-5-14(18)7-15(11)16(19)20/h2-7H,8-9,18H2,1H3
InChIKeyKLWOBDWTLJUIAT-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.87
Rot. Bonds2

About 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one

6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one (PubChem CID 105374797) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one
PubChem CID105374797
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one
SMILESCc1ccc(F)cc1CN1Cc2ccc(N)cc2C1=O
InChIInChI=1S/C16H15FN2O/c1-10-2-4-13(17)6-12(10)9-19-8-11-3-5-14(18)7-15(11)16(19)20/h2-7H,8-9,18H2,1H3
InChIKeyKLWOBDWTLJUIAT-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 105371505
6-amino-2-[(3-methyl-2-pyridinyl)methyl]-3H-isoindol-1-one
CID 112651266
5-[(5-amino-3-oxo-1H-isoindol-2-yl)methyl]-2-fluorobenzonitrile
CID 107886460
1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
CID 105375774
6-amino-2-(2-ethylsulfonylethyl)-3H-isoindol-1-one
CID 106729407
6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 82891912
5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 114345879
2-[(2,5-difluorophenyl)methyl]-6,7-dimethoxy-3H-isoindol-1-one
CID 68964004
6-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3H-isoindol-1-one
CID 112591350
7-amino-2-[(3,5-difluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 105403399
6-amino-2-(2,6-dimethylphenyl)-3H-isoindol-1-one
CID 82165706
1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one
CID 105371718

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one (CID 105374797) is 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one is Cc1ccc(F)cc1CN1Cc2ccc(N)cc2C1=O.
What is the InChIKey of 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one?
The InChIKey is KLWOBDWTLJUIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-2-4-13(17)6-12(10)9-19-8-11-3-5-14(18)7-15(11)16(19)20/h2-7H,8-9,18H2,1H3.
What are the key properties of 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one?
6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one has a molecular weight of 270.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 105374797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).