3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol

C14H19NO2 — CID 79135407

IUPAC3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
SMILESNCC1(C2(O)CCOC2)Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c15-9-13(14(16)5-6-17-10-14)7-11-3-1-2-4-12(11)8-13/h1-4,16H,5-10,15H2
InChIKeyWTZYZLSOUZSROL-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.88
Rot. Bonds2

About 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol

3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol (PubChem CID 79135407) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
PubChem CID79135407
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
SMILESNCC1(C2(O)CCOC2)Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c15-9-13(14(16)5-6-17-10-14)7-11-3-1-2-4-12(11)8-13/h1-4,16H,5-10,15H2
InChIKeyWTZYZLSOUZSROL-UHFFFAOYSA-N
XLogP0.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol?
The IUPAC name of 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol (CID 79135407) is 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol.
What is the SMILES notation for 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol?
The canonical SMILES for 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol is NCC1(C2(O)CCOC2)Cc2ccccc2C1.
What is the InChIKey of 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol?
The InChIKey is WTZYZLSOUZSROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-9-13(14(16)5-6-17-10-14)7-11-3-1-2-4-12(11)8-13/h1-4,16H,5-10,15H2.
What are the key properties of 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol?
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol has a molecular weight of 233.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol is sourced from PubChem (CID 79135407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).