5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine

C13H18ClNO — CID 82720295

IUPAC5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)(C)ONC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H18ClNO/c1-13(2,3)16-15-12-7-9-4-5-11(14)6-10(9)8-12/h4-6,12,15H,7-8H2,1-3H3
InChIKeyFKNAKOQTSNTTKG-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.13
Rot. Bonds2

About 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine (PubChem CID 82720295) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine
PubChem CID82720295
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)(C)ONC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H18ClNO/c1-13(2,3)16-15-12-7-9-4-5-11(14)6-10(9)8-12/h4-6,12,15H,7-8H2,1-3H3
InChIKeyFKNAKOQTSNTTKG-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine (CID 82720295) is 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine is CC(C)(C)ONC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FKNAKOQTSNTTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2,3)16-15-12-7-9-4-5-11(14)6-10(9)8-12/h4-6,12,15H,7-8H2,1-3H3.
What are the key properties of 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 82720295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).