amino(1-phenoxypropan-2-yl)azanium

C9H15N2O+ — CID 20838095

IUPACamino(1-phenoxypropan-2-yl)azanium
SMILESCC(COc1ccccc1)[NH2+]N
InChIInChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3/p+1
InChIKeyQNEXFJFTGQBXBJ-UHFFFAOYSA-O
MW167.23 g/mol
LogP-0.11
Rot. Bonds4

About amino(1-phenoxypropan-2-yl)azanium

amino(1-phenoxypropan-2-yl)azanium (PubChem CID 20838095) has the molecular formula C9H15N2O+ and a molecular weight of 167.23 g/mol. Its IUPAC name is amino(1-phenoxypropan-2-yl)azanium.

Molecular Properties

Compound Nameamino(1-phenoxypropan-2-yl)azanium
PubChem CID20838095
Molecular FormulaC9H15N2O+
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC Nameamino(1-phenoxypropan-2-yl)azanium
SMILESCC(COc1ccccc1)[NH2+]N
InChIInChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3/p+1
InChIKeyQNEXFJFTGQBXBJ-UHFFFAOYSA-O
XLogP-0.11
TPSA51.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium
CID 7033803
CID 142401703
CID 142401703
ethane;1-phenoxypropan-2-ol
CID 90926921
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
2,3-difluorobutoxybenzene
CID 53412752
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(4-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105212878
(3-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105213082
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280

Frequently Asked Questions

What is the IUPAC name of amino(1-phenoxypropan-2-yl)azanium?
The IUPAC name of amino(1-phenoxypropan-2-yl)azanium (CID 20838095) is amino(1-phenoxypropan-2-yl)azanium.
What is the SMILES notation for amino(1-phenoxypropan-2-yl)azanium?
The canonical SMILES for amino(1-phenoxypropan-2-yl)azanium is CC(COc1ccccc1)[NH2+]N.
What is the InChIKey of amino(1-phenoxypropan-2-yl)azanium?
The InChIKey is QNEXFJFTGQBXBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3/p+1.
What are the key properties of amino(1-phenoxypropan-2-yl)azanium?
amino(1-phenoxypropan-2-yl)azanium has a molecular weight of 167.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(1-phenoxypropan-2-yl)azanium is sourced from PubChem (CID 20838095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).