[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium

C12H19N2O+ — CID 146969644

IUPAC[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium
SMILES[NH3+]CC(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C12H18N2O/c13-7-12(15)8-14-11-5-9-3-1-2-4-10(9)6-11/h1-4,11-12,14-15H,5-8,13H2/p+1
InChIKeyAMEDQWPXXOORMC-UHFFFAOYSA-O
MW207.30 g/mol
LogP-0.65
Rot. Bonds4

About [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium

[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium (PubChem CID 146969644) has the molecular formula C12H19N2O+ and a molecular weight of 207.30 g/mol. Its IUPAC name is [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium
PubChem CID146969644
Molecular FormulaC12H19N2O+
Molecular Weight207.30 g/mol
Exact Mass207.15
IUPAC Name[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium
SMILES[NH3+]CC(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C12H18N2O/c13-7-12(15)8-14-11-5-9-3-1-2-4-10(9)6-11/h1-4,11-12,14-15H,5-8,13H2/p+1
InChIKeyAMEDQWPXXOORMC-UHFFFAOYSA-O
XLogP-0.65
TPSA59.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium?
The IUPAC name of [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium (CID 146969644) is [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium.
What is the SMILES notation for [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium?
The canonical SMILES for [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium is [NH3+]CC(O)CNC1Cc2ccccc2C1.
What is the InChIKey of [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium?
The InChIKey is AMEDQWPXXOORMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N2O/c13-7-12(15)8-14-11-5-9-3-1-2-4-10(9)6-11/h1-4,11-12,14-15H,5-8,13H2/p+1.
What are the key properties of [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium?
[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium has a molecular weight of 207.30 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium is sourced from PubChem (CID 146969644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).