2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride

C19H26ClNO3 — CID 110176932

IUPAC2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride
SMILESCOc1ccc(CC[NH2+]CC(OC)c2ccccc2)cc1OC.[Cl-]
InChIInChI=1S/C19H25NO3.ClH/c1-21-17-10-9-15(13-18(17)22-2)11-12-20-14-19(23-3)16-7-5-4-6-8-16;/h4-10,13,19-20H,11-12,14H2,1-3H3;1H
InChIKeySSCKHCRCXYUGJV-UHFFFAOYSA-N
MW351.87 g/mol
LogP-0.80
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride

2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride (PubChem CID 110176932) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride
PubChem CID110176932
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride
SMILESCOc1ccc(CC[NH2+]CC(OC)c2ccccc2)cc1OC.[Cl-]
InChIInChI=1S/C19H25NO3.ClH/c1-21-17-10-9-15(13-18(17)22-2)11-12-20-14-19(23-3)16-7-5-4-6-8-16;/h4-10,13,19-20H,11-12,14H2,1-3H3;1H
InChIKeySSCKHCRCXYUGJV-UHFFFAOYSA-N
XLogP-0.80
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene
CID 54375064
2-(3,4-dimethoxyphenyl)ethyl-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 8017012
3-(3,4-dimethoxyphenyl)propyl-triphenylphosphanium iodide
CID 10940771
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
CID 6341030
2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium
CID 36690918
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methoxy-2-phenylethyl)guanidine
CID 111201060
1-methoxy-2-[(2R)-2-methoxy-2-phenylethoxy]benzene
CID 139888688

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride (CID 110176932) is 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride is COc1ccc(CC[NH2+]CC(OC)c2ccccc2)cc1OC.[Cl-].
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride?
The InChIKey is SSCKHCRCXYUGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3.ClH/c1-21-17-10-9-15(13-18(17)22-2)11-12-20-14-19(23-3)16-7-5-4-6-8-16;/h4-10,13,19-20H,11-12,14H2,1-3H3;1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride?
2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride has a molecular weight of 351.87 g/mol, XLogP of -0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride is sourced from PubChem (CID 110176932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).