N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine

C17H19NO2 — CID 82720579

IUPACN-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine
SMILESCC(C)(C)ONC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H19NO2/c1-17(2,3)20-18-16-12-8-4-6-10-14(12)19-15-11-7-5-9-13(15)16/h4-11,16,18H,1-3H3
InChIKeyBNBNIJOTNOXNRD-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.20
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine

N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine (PubChem CID 82720579) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine
PubChem CID82720579
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine
SMILESCC(C)(C)ONC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H19NO2/c1-17(2,3)20-18-16-12-8-4-6-10-14(12)19-15-11-7-5-9-13(15)16/h4-11,16,18H,1-3H3
InChIKeyBNBNIJOTNOXNRD-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine (CID 82720579) is N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine is CC(C)(C)ONC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine?
The InChIKey is BNBNIJOTNOXNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,3)20-18-16-12-8-4-6-10-14(12)19-15-11-7-5-9-13(15)16/h4-11,16,18H,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine?
N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine has a molecular weight of 269.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine is sourced from PubChem (CID 82720579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).