1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole

C18H19N — CID 114605983

IUPAC1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole
SMILESc1cc(C2CCC2)cc(C2NCc3ccccc32)c1
InChIInChI=1S/C18H19N/c1-2-10-17-16(5-1)12-19-18(17)15-9-4-8-14(11-15)13-6-3-7-13/h1-2,4-5,8-11,13,18-19H,3,6-7,12H2
InChIKeyIRAFPUFEVRKLEM-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.15
Rot. Bonds2

About 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole

1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 114605983) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole
PubChem CID114605983
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole
SMILESc1cc(C2CCC2)cc(C2NCc3ccccc32)c1
InChIInChI=1S/C18H19N/c1-2-10-17-16(5-1)12-19-18(17)15-9-4-8-14(11-15)13-6-3-7-13/h1-2,4-5,8-11,13,18-19H,3,6-7,12H2
InChIKeyIRAFPUFEVRKLEM-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543809
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
CID 65046520
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
3-cyclobutylbenzenethiol
CID 139494537
6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737218
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 107514282
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 114606074
2-(3-cyclobutylphenyl)-5-methylpiperidine
CID 114606010
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole (CID 114605983) is 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole is c1cc(C2CCC2)cc(C2NCc3ccccc32)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is IRAFPUFEVRKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-10-17-16(5-1)12-19-18(17)15-9-4-8-14(11-15)13-6-3-7-13/h1-2,4-5,8-11,13,18-19H,3,6-7,12H2.
What are the key properties of 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole?
1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 249.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 114605983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).