2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine

C13H18N2O — CID 62822959

IUPAC2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(CC1CCOC1)C2
InChIInChI=1S/C13H18N2O/c14-13-3-1-2-11-7-15(8-12(11)13)6-10-4-5-16-9-10/h1-3,10H,4-9,14H2
InChIKeySFQSDWUKOWQCPC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.62
Rot. Bonds2

About 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine

2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine (PubChem CID 62822959) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
PubChem CID62822959
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(CC1CCOC1)C2
InChIInChI=1S/C13H18N2O/c14-13-3-1-2-11-7-15(8-12(11)13)6-10-4-5-16-9-10/h1-3,10H,4-9,14H2
InChIKeySFQSDWUKOWQCPC-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine (CID 62822959) is 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(CC1CCOC1)C2.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is SFQSDWUKOWQCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-13-3-1-2-11-7-15(8-12(11)13)6-10-4-5-16-9-10/h1-3,10H,4-9,14H2.
What are the key properties of 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine?
2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 218.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 62822959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).