dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride

C12H20ClNO2 — CID 18996484

IUPACdimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride
SMILESCC(Oc1ccccc1)OC(C)[NH+](C)C.[Cl-]
InChIInChI=1S/C12H19NO2.ClH/c1-10(13(3)4)14-11(2)15-12-8-6-5-7-9-12;/h5-11H,1-4H3;1H
InChIKeyHFSKABROUDNAHT-UHFFFAOYSA-N
MW245.75 g/mol
LogP-2.08
Rot. Bonds5

About dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride

dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride (PubChem CID 18996484) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride
PubChem CID18996484
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Namedimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride
SMILESCC(Oc1ccccc1)OC(C)[NH+](C)C.[Cl-]
InChIInChI=1S/C12H19NO2.ClH/c1-10(13(3)4)14-11(2)15-12-8-6-5-7-9-12;/h5-11H,1-4H3;1H
InChIKeyHFSKABROUDNAHT-UHFFFAOYSA-N
XLogP-2.08
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxyethoxybenzene
CID 18188895
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
1,2-dichloropropoxybenzene
CID 118151210
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592
1-[2-[2,2-bis(1-phenoxyethoxymethyl)butoxymethyl]-2-(1-phenoxyethoxymethyl)butoxy]ethoxybenzene
CID 139547150
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-phenoxyethanol
CID 66611531
dimethyl(diphenoxy)phosphanium
CID 118068912
1-phenoxyethoxycarbonyloxy 1-phenoxyethyl carbonate
CID 88732415
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
1-phenoxyethanol;trihydrate
CID 175915128
bis(2-methylpropyl)-(1-phenoxyethoxy)alumane
CID 139905308

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride?
The IUPAC name of dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride (CID 18996484) is dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride?
The canonical SMILES for dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride is CC(Oc1ccccc1)OC(C)[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride?
The InChIKey is HFSKABROUDNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-10(13(3)4)14-11(2)15-12-8-6-5-7-9-12;/h5-11H,1-4H3;1H.
What are the key properties of dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride?
dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride has a molecular weight of 245.75 g/mol, XLogP of -2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride is sourced from PubChem (CID 18996484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).