2,3-dihydro-1H-isoindole;propane

C11H17N — CID 143664117

IUPAC2,3-dihydro-1H-isoindole;propane
SMILESCCC.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.C3H8/c1-2-4-8-6-9-5-7(8)3-1;1-3-2/h1-4,9H,5-6H2;3H2,1-2H3
InChIKeyBCYJOFBFCJIPAX-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds

About 2,3-dihydro-1H-isoindole;propane

2,3-dihydro-1H-isoindole;propane (PubChem CID 143664117) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole;propane.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole;propane
PubChem CID143664117
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,3-dihydro-1H-isoindole;propane
SMILESCCC.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.C3H8/c1-2-4-8-6-9-5-7(8)3-1;1-3-2/h1-4,9H,5-6H2;3H2,1-2H3
InChIKeyBCYJOFBFCJIPAX-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylbenzylamine
CID 7669
N-Ethylbenzylamine
CID 84352
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
Isoindoline
CID 422478
N-Propylbenzylamine
CID 74850
2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10464472
2-Phenylpyrrolidine
CID 261892
N-Butylbenzylamine
CID 75467
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
Diphenyl isoindoline
CID 606734
N-Octylbenzenemethanamine
CID 15464

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole;propane?
The IUPAC name of 2,3-dihydro-1H-isoindole;propane (CID 143664117) is 2,3-dihydro-1H-isoindole;propane.
What is the SMILES notation for 2,3-dihydro-1H-isoindole;propane?
The canonical SMILES for 2,3-dihydro-1H-isoindole;propane is CCC.c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole;propane?
The InChIKey is BCYJOFBFCJIPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C3H8/c1-2-4-8-6-9-5-7(8)3-1;1-3-2/h1-4,9H,5-6H2;3H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-isoindole;propane?
2,3-dihydro-1H-isoindole;propane has a molecular weight of 163.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole;propane is sourced from PubChem (CID 143664117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).