[[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium

C15H22N2O4P+ — CID 136656120

IUPAC[[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium
SMILESCC(C(=O)OC1CCC1)N(Oc1ccccc1CCN)[PH+]=O
InChIInChI=1S/C15H21N2O4P/c1-11(15(18)20-13-6-4-7-13)17(22-19)21-14-8-3-2-5-12(14)9-10-16/h2-3,5,8,11,13H,4,6-7,9-10,16H2,1H3/p+1
InChIKeyRADZFDIAZQMHNS-UHFFFAOYSA-O
MW325.33 g/mol
LogP2.21
Rot. Bonds8

About [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium

[[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium (PubChem CID 136656120) has the molecular formula C15H22N2O4P+ and a molecular weight of 325.33 g/mol. Its IUPAC name is [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium.

Molecular Properties

Compound Name[[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium
PubChem CID136656120
Molecular FormulaC15H22N2O4P+
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name[[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium
SMILESCC(C(=O)OC1CCC1)N(Oc1ccccc1CCN)[PH+]=O
InChIInChI=1S/C15H21N2O4P/c1-11(15(18)20-13-6-4-7-13)17(22-19)21-14-8-3-2-5-12(14)9-10-16/h2-3,5,8,11,13H,4,6-7,9-10,16H2,1H3/p+1
InChIKeyRADZFDIAZQMHNS-UHFFFAOYSA-O
XLogP2.21
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
cyclohexyl 2-(2-ethylanilino)propanoate
CID 70524306
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036930
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
N'-[(2-cyclohexyloxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 177374490
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537

Frequently Asked Questions

What is the IUPAC name of [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium?
The IUPAC name of [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium (CID 136656120) is [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium.
What is the SMILES notation for [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium?
The canonical SMILES for [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium is CC(C(=O)OC1CCC1)N(Oc1ccccc1CCN)[PH+]=O.
What is the InChIKey of [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium?
The InChIKey is RADZFDIAZQMHNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N2O4P/c1-11(15(18)20-13-6-4-7-13)17(22-19)21-14-8-3-2-5-12(14)9-10-16/h2-3,5,8,11,13H,4,6-7,9-10,16H2,1H3/p+1.
What are the key properties of [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium?
[[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium has a molecular weight of 325.33 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-aminoethyl)phenoxy]-(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-oxophosphanium is sourced from PubChem (CID 136656120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).