5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine

C16H14ClFN2 — CID 90690146

IUPAC5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine
SMILESCc1cccc(C2(C)N=C(N)c3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C16H14ClFN2/c1-9-4-3-5-10(6-9)16(2)12-7-11(17)8-13(18)14(12)15(19)20-16/h3-8H,1-2H3,(H2,19,20)
InChIKeyAZXDWHPTAUHGKA-UHFFFAOYSA-N
MW288.75 g/mol
LogP3.77
Rot. Bonds1

About 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine

5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine (PubChem CID 90690146) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine.

Molecular Properties

Compound Name5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine
PubChem CID90690146
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine
SMILESCc1cccc(C2(C)N=C(N)c3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C16H14ClFN2/c1-9-4-3-5-10(6-9)16(2)12-7-11(17)8-13(18)14(12)15(19)20-16/h3-8H,1-2H3,(H2,19,20)
InChIKeyAZXDWHPTAUHGKA-UHFFFAOYSA-N
XLogP3.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine?
The IUPAC name of 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine (CID 90690146) is 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine.
What is the SMILES notation for 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine?
The canonical SMILES for 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine is Cc1cccc(C2(C)N=C(N)c3c(F)cc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine?
The InChIKey is AZXDWHPTAUHGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-9-4-3-5-10(6-9)16(2)12-7-11(17)8-13(18)14(12)15(19)20-16/h3-8H,1-2H3,(H2,19,20).
What are the key properties of 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine?
5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine has a molecular weight of 288.75 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine is sourced from PubChem (CID 90690146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).