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

C14H20N2O — CID 84736332

IUPAC4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine
SMILESNC1(CN2Cc3ccccc3C2)CCOCC1
InChIInChI=1S/C14H20N2O/c15-14(5-7-17-8-6-14)11-16-9-12-3-1-2-4-13(12)10-16/h1-4H,5-11,15H2
InChIKeyMBWQWNXXRHPHIT-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.51
Rot. Bonds2

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

4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine (PubChem CID 84736332) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine
PubChem CID84736332
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine
SMILESNC1(CN2Cc3ccccc3C2)CCOCC1
InChIInChI=1S/C14H20N2O/c15-14(5-7-17-8-6-14)11-16-9-12-3-1-2-4-13(12)10-16/h1-4H,5-11,15H2
InChIKeyMBWQWNXXRHPHIT-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

Analyze 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine
CID 84736334
[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)oxan-4-yl]methanamine
CID 63152906
2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole
CID 175938518
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
CID 114410477
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 115295298
[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine
CID 114240547
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
CID 18630970
[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
CID 55051740
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine
CID 104959111
4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-amine
CID 115295276
4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine
CID 115295408
[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)oxan-4-yl]methanol
CID 63192954

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine (CID 84736332) is 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine is NC1(CN2Cc3ccccc3C2)CCOCC1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine?
The InChIKey is MBWQWNXXRHPHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-14(5-7-17-8-6-14)11-16-9-12-3-1-2-4-13(12)10-16/h1-4H,5-11,15H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine?
4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-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 4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 84736332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).