6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one

C15H21FN2O — CID 171515369

IUPAC6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one
SMILESCCN(Cc1cc(F)c2c(c1)C(=O)NC2)CC(C)C
InChIInChI=1S/C15H21FN2O/c1-4-18(8-10(2)3)9-11-5-12-13(14(16)6-11)7-17-15(12)19/h5-6,10H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyPHMNKHQNLZESQX-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.55
Rot. Bonds5

About 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one

6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 171515369) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one
PubChem CID171515369
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one
SMILESCCN(Cc1cc(F)c2c(c1)C(=O)NC2)CC(C)C
InChIInChI=1S/C15H21FN2O/c1-4-18(8-10(2)3)9-11-5-12-13(14(16)6-11)7-17-15(12)19/h5-6,10H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyPHMNKHQNLZESQX-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one (CID 171515369) is 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one is CCN(Cc1cc(F)c2c(c1)C(=O)NC2)CC(C)C.
What is the InChIKey of 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is PHMNKHQNLZESQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-18(8-10(2)3)9-11-5-12-13(14(16)6-11)7-17-15(12)19/h5-6,10H,4,7-9H2,1-3H3,(H,17,19).
What are the key properties of 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one?
6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 171515369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).