2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine

C13H20N2O — CID 43175774

IUPAC2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine
SMILESCCOCCCN1Cc2ccc(N)cc2C1
InChIInChI=1S/C13H20N2O/c1-2-16-7-3-6-15-9-11-4-5-13(14)8-12(11)10-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3
InChIKeyNJNJHDULCWSORL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.01
Rot. Bonds5

About 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine

2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine (PubChem CID 43175774) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine
PubChem CID43175774
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine
SMILESCCOCCCN1Cc2ccc(N)cc2C1
InChIInChI=1S/C13H20N2O/c1-2-16-7-3-6-15-9-11-4-5-13(14)8-12(11)10-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3
InChIKeyNJNJHDULCWSORL-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 132060733
CID 132060733
CID 20754722
CID 20754722
CID 21988160
CID 21988160
CID 24278731
CID 24278731
CID 3243205
CID 3243205
CID 14795862
CID 14795862
CID 22591361
CID 22591361
CID 24278641
CID 24278641
CID 58289813
CID 58289813
CID 59382308
CID 59382308
CID 66657110
CID 66657110
CID 67304575
CID 67304575

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine (CID 43175774) is 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine is CCOCCCN1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is NJNJHDULCWSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-16-7-3-6-15-9-11-4-5-13(14)8-12(11)10-15/h4-5,8H,2-3,6-7,9-10,14H2,1H3.
What are the key properties of 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine?
2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 220.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43175774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).