dimethyl-phenyl-(1-phenylethyl)azanium hydroxide

C16H21NO — CID 87491216

IUPACdimethyl-phenyl-(1-phenylethyl)azanium hydroxide
SMILESCC(c1ccccc1)[N+](C)(C)c1ccccc1.[OH-]
InChIInChI=1S/C16H20N.H2O/c1-14(15-10-6-4-7-11-15)17(2,3)16-12-8-5-9-13-16;/h4-14H,1-3H3;1H2/q+1;/p-1
InChIKeyZKECDKNIJTUSOU-UHFFFAOYSA-M
MW243.35 g/mol
LogP3.84
Rot. Bonds3

About dimethyl-phenyl-(1-phenylethyl)azanium hydroxide

dimethyl-phenyl-(1-phenylethyl)azanium hydroxide (PubChem CID 87491216) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is dimethyl-phenyl-(1-phenylethyl)azanium hydroxide.

Molecular Properties

Compound Namedimethyl-phenyl-(1-phenylethyl)azanium hydroxide
PubChem CID87491216
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namedimethyl-phenyl-(1-phenylethyl)azanium hydroxide
SMILESCC(c1ccccc1)[N+](C)(C)c1ccccc1.[OH-]
InChIInChI=1S/C16H20N.H2O/c1-14(15-10-6-4-7-11-15)17(2,3)16-12-8-5-9-13-16;/h4-14H,1-3H3;1H2/q+1;/p-1
InChIKeyZKECDKNIJTUSOU-UHFFFAOYSA-M
XLogP3.84
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(1-phenylethyl)azanium;hydroiodide
CID 126959602
azane;trimethyl(1-phenylethyl)azanium;chloride
CID 174615232
diphenyl-di(propan-2-yl)azanium
CID 70556389
benzyl-[1-[4-[1-[benzyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium
CID 89119591
dodecyl-dimethyl-(1-phenylethyl)azanium
CID 14494910
[(1R)-1-chloroethyl]benzene
CID 642190
benzene;hexadecyl-dimethyl-(1-phenylethyl)azanium;chloride
CID 174769082
dimethyl-phenacyl-[(1S)-1-phenylethyl]azanium
CID 13104172
1-phenylethyl-tris(prop-2-enyl)azanium hydroxide
CID 88601133
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-(1-phenylethyl)azanium hydroxide?
The IUPAC name of dimethyl-phenyl-(1-phenylethyl)azanium hydroxide (CID 87491216) is dimethyl-phenyl-(1-phenylethyl)azanium hydroxide.
What is the SMILES notation for dimethyl-phenyl-(1-phenylethyl)azanium hydroxide?
The canonical SMILES for dimethyl-phenyl-(1-phenylethyl)azanium hydroxide is CC(c1ccccc1)[N+](C)(C)c1ccccc1.[OH-].
What is the InChIKey of dimethyl-phenyl-(1-phenylethyl)azanium hydroxide?
The InChIKey is ZKECDKNIJTUSOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20N.H2O/c1-14(15-10-6-4-7-11-15)17(2,3)16-12-8-5-9-13-16;/h4-14H,1-3H3;1H2/q+1;/p-1.
What are the key properties of dimethyl-phenyl-(1-phenylethyl)azanium hydroxide?
dimethyl-phenyl-(1-phenylethyl)azanium hydroxide has a molecular weight of 243.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-(1-phenylethyl)azanium hydroxide is sourced from PubChem (CID 87491216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).