2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium

C22H26NO2+ — CID 2227478

IUPAC2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium
SMILESCOc1ccc(CC[NH+](C)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H25NO2/c1-23(14-13-17-11-12-21(24-2)22(15-17)25-3)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,15H,13-14,16H2,1-3H3/p+1
InChIKeyOSTRREFNAIAIQV-UHFFFAOYSA-O
MW336.46 g/mol
LogP3.11
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium

2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium (PubChem CID 2227478) has the molecular formula C22H26NO2+ and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium
PubChem CID2227478
Molecular FormulaC22H26NO2+
Molecular Weight336.46 g/mol
Exact Mass336.20
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium
SMILESCOc1ccc(CC[NH+](C)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H25NO2/c1-23(14-13-17-11-12-21(24-2)22(15-17)25-3)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,15H,13-14,16H2,1-3H3/p+1
InChIKeyOSTRREFNAIAIQV-UHFFFAOYSA-O
XLogP3.11
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 7427771
2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 6962088
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium
CID 2168230
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
CID 5158918
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
N-[(3,4-dimethoxyphenyl)methyl]-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 94048113
N-[(2-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 2163807
2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]-methylazanium
CID 8583994
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium (CID 2227478) is 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium is COc1ccc(CC[NH+](C)Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium?
The InChIKey is OSTRREFNAIAIQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25NO2/c1-23(14-13-17-11-12-21(24-2)22(15-17)25-3)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,15H,13-14,16H2,1-3H3/p+1.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium?
2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium has a molecular weight of 336.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium is sourced from PubChem (CID 2227478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).