2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine

C15H15FN2 — CID 117006148

IUPAC2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
SMILESCNc1cccc2c1CN(c1ccc(F)cc1)C2
InChIInChI=1S/C15H15FN2/c1-17-15-4-2-3-11-9-18(10-14(11)15)13-7-5-12(16)6-8-13/h2-8,17H,9-10H2,1H3
InChIKeyKEDDDNFUTPUUHJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.39
Rot. Bonds2

About 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine

2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine (PubChem CID 117006148) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
PubChem CID117006148
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
SMILESCNc1cccc2c1CN(c1ccc(F)cc1)C2
InChIInChI=1S/C15H15FN2/c1-17-15-4-2-3-11-9-18(10-14(11)15)13-7-5-12(16)6-8-13/h2-8,17H,9-10H2,1H3
InChIKeyKEDDDNFUTPUUHJ-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine (CID 117006148) is 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine is CNc1cccc2c1CN(c1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
The InChIKey is KEDDDNFUTPUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-17-15-4-2-3-11-9-18(10-14(11)15)13-7-5-12(16)6-8-13/h2-8,17H,9-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine?
2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine has a molecular weight of 242.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 117006148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).