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

C15H21NO2 — CID 82836805

IUPAC[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol
SMILESNCC1(C(O)C2CCCO2)Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c16-10-15(14(17)13-6-3-7-18-13)8-11-4-1-2-5-12(11)9-15/h1-2,4-5,13-14,17H,3,6-10,16H2
InChIKeyPORJKFOIAKXNMG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.27
Rot. Bonds3

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

[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol (PubChem CID 82836805) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol
PubChem CID82836805
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol
SMILESNCC1(C(O)C2CCCO2)Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c16-10-15(14(17)13-6-3-7-18-13)8-11-4-1-2-5-12(11)9-15/h1-2,4-5,13-14,17H,3,6-10,16H2
InChIKeyPORJKFOIAKXNMG-UHFFFAOYSA-N
XLogP1.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol?
The IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol (CID 82836805) is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol is NCC1(C(O)C2CCCO2)Cc2ccccc2C1.
What is the InChIKey of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol?
The InChIKey is PORJKFOIAKXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-10-15(14(17)13-6-3-7-18-13)8-11-4-1-2-5-12(11)9-15/h1-2,4-5,13-14,17H,3,6-10,16H2.
What are the key properties of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol?
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol has a molecular weight of 247.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol is sourced from PubChem (CID 82836805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).