(3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium

C15H25N2O2+ — CID 118061362

IUPAC(3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium
SMILESCC(C)(C)OC(=O)CC[N+](C)(C)c1cccc(N)c1
InChIInChI=1S/C15H25N2O2/c1-15(2,3)19-14(18)9-10-17(4,5)13-8-6-7-12(16)11-13/h6-8,11H,9-10,16H2,1-5H3/q+1
InChIKeyRSGASOYAVIGWFB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.57
Rot. Bonds4

About (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium

(3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium (PubChem CID 118061362) has the molecular formula C15H25N2O2+ and a molecular weight of 265.38 g/mol. Its IUPAC name is (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium.

Molecular Properties

Compound Name(3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium
PubChem CID118061362
Molecular FormulaC15H25N2O2+
Molecular Weight265.38 g/mol
Exact Mass265.19
IUPAC Name(3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium
SMILESCC(C)(C)OC(=O)CC[N+](C)(C)c1cccc(N)c1
InChIInChI=1S/C15H25N2O2/c1-15(2,3)19-14(18)9-10-17(4,5)13-8-6-7-12(16)11-13/h6-8,11H,9-10,16H2,1-5H3/q+1
InChIKeyRSGASOYAVIGWFB-UHFFFAOYSA-N
XLogP2.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
The IUPAC name of (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium (CID 118061362) is (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium.
What is the SMILES notation for (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
The canonical SMILES for (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium is CC(C)(C)OC(=O)CC[N+](C)(C)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
The InChIKey is RSGASOYAVIGWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O2/c1-15(2,3)19-14(18)9-10-17(4,5)13-8-6-7-12(16)11-13/h6-8,11H,9-10,16H2,1-5H3/q+1.
What are the key properties of (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
(3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium has a molecular weight of 265.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-dimethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium is sourced from PubChem (CID 118061362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).