[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride

C17H22ClNO3 — CID 23004771

IUPAC[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
SMILESCCOc1ccc(C([NH3+])c2ccc(OC)c(OC)c2)cc1.[Cl-]
InChIInChI=1S/C17H21NO3.ClH/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3;/h5-11,17H,4,18H2,1-3H3;1H
InChIKeyVMECNUWGGSOUCE-UHFFFAOYSA-N
MW323.82 g/mol
LogP-0.56
Rot. Bonds6

About [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride

[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride (PubChem CID 23004771) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride.

Molecular Properties

Compound Name[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
PubChem CID23004771
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
SMILESCCOc1ccc(C([NH3+])c2ccc(OC)c(OC)c2)cc1.[Cl-]
InChIInChI=1S/C17H21NO3.ClH/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3;/h5-11,17H,4,18H2,1-3H3;1H
InChIKeyVMECNUWGGSOUCE-UHFFFAOYSA-N
XLogP-0.56
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium chloride
CID 23004770
[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium
CID 4712225
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
CID 61082919
[(S)-(3,4-dimethoxyphenyl)-(4-methylphenyl)methyl]azanium
CID 7183177
[(3,4-diethoxyphenyl)-phenylmethyl]azanium
CID 4712217
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
CID 134831013
[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]azanium
CID 142314842
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393

Frequently Asked Questions

What is the IUPAC name of [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride?
The IUPAC name of [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride (CID 23004771) is [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride.
What is the SMILES notation for [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride?
The canonical SMILES for [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride is CCOc1ccc(C([NH3+])c2ccc(OC)c(OC)c2)cc1.[Cl-].
What is the InChIKey of [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride?
The InChIKey is VMECNUWGGSOUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3;/h5-11,17H,4,18H2,1-3H3;1H.
What are the key properties of [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride?
[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride has a molecular weight of 323.82 g/mol, XLogP of -0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride is sourced from PubChem (CID 23004771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).