3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine

C14H20N2O — CID 84736334

IUPAC3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine
SMILESNC1(CN2Cc3ccccc3C2)CCCOC1
InChIInChI=1S/C14H20N2O/c15-14(6-3-7-17-11-14)10-16-8-12-4-1-2-5-13(12)9-16/h1-2,4-5H,3,6-11,15H2
InChIKeyHIZXVKFRZUREKK-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.51
Rot. Bonds2

About 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine

3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine (PubChem CID 84736334) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine
PubChem CID84736334
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine
SMILESNC1(CN2Cc3ccccc3C2)CCCOC1
InChIInChI=1S/C14H20N2O/c15-14(6-3-7-17-11-14)10-16-8-12-4-1-2-5-13(12)9-16/h1-2,4-5H,3,6-11,15H2
InChIKeyHIZXVKFRZUREKK-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
Isoindoline, 2-(3-morpholinopropyl)-
CID 18524
1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine
CID 91660424
2-[(4-Fluorooxan-4-yl)methyl]-1,3-dihydroisoindole
CID 151959655
[4,5,6-Trifluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82544698
[4,6-Difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545026
[4,6-Difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545061
[5,7-Difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545087
[5,7-Difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545122
[6-Fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545503
[6-Fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545519

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine?
The IUPAC name of 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine (CID 84736334) is 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine is NC1(CN2Cc3ccccc3C2)CCCOC1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine?
The InChIKey is HIZXVKFRZUREKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-14(6-3-7-17-11-14)10-16-8-12-4-1-2-5-13(12)9-16/h1-2,4-5H,3,6-11,15H2.
What are the key properties of 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine?
3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine is sourced from PubChem (CID 84736334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).