2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine

C15H15FN2 — CID 62812209

IUPAC2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCc1cc(N2Cc3cccc(N)c3C2)ccc1F
InChIInChI=1S/C15H15FN2/c1-10-7-12(5-6-14(10)16)18-8-11-3-2-4-15(17)13(11)9-18/h2-7H,8-9,17H2,1H3
InChIKeyKAFBEDJVLAGWGP-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.24
Rot. Bonds1

About 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine

2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 62812209) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine
PubChem CID62812209
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCc1cc(N2Cc3cccc(N)c3C2)ccc1F
InChIInChI=1S/C15H15FN2/c1-10-7-12(5-6-14(10)16)18-8-11-3-2-4-15(17)13(11)9-18/h2-7H,8-9,17H2,1H3
InChIKeyKAFBEDJVLAGWGP-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine (CID 62812209) is 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine is Cc1cc(N2Cc3cccc(N)c3C2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is KAFBEDJVLAGWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-10-7-12(5-6-14(10)16)18-8-11-3-2-4-15(17)13(11)9-18/h2-7H,8-9,17H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine?
2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 242.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 62812209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).