N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine

C17H23N2O+ — CID 23387081

IUPACN,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine
SMILESCN(C)CCOCC[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H23N2O/c1-18(2)12-14-20-15-13-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3/q+1
InChIKeyNPSMHPVTRCDHIZ-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.22
Rot. Bonds7

About N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine

N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine (PubChem CID 23387081) has the molecular formula C17H23N2O+ and a molecular weight of 271.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine
PubChem CID23387081
Molecular FormulaC17H23N2O+
Molecular Weight271.38 g/mol
Exact Mass271.18
IUPAC NameN,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine
SMILESCN(C)CCOCC[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H23N2O/c1-18(2)12-14-20-15-13-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3/q+1
InChIKeyNPSMHPVTRCDHIZ-UHFFFAOYSA-N
XLogP2.22
TPSA16.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine 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

4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
CID 3650539
1-butyl-4-phenylpyridin-1-ium
CID 14317875
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
3-(4-benzhydrylpyridin-1-ium-1-yl)-N,N-dimethylpropan-1-amine;bromomethane;bromide
CID 21152353
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
[1-[2-(dimethylamino)ethyl]pyridin-1-ium-4-yl]-phenylmethanone
CID 834039
2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate
CID 20607694
2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine
CID 23695
ethyl 4-(4-phenylpyridin-1-ium-1-yl)butanoate
CID 97301878

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine (CID 23387081) is N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine is CN(C)CCOCC[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine?
The InChIKey is NPSMHPVTRCDHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N2O/c1-18(2)12-14-20-15-13-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3/q+1.
What are the key properties of N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine?
N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 23387081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).