butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

C15H26NO3+ — CID 7317677

IUPACbutyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
SMILESCCCC[NH+](C)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-7-8-16(2)11-12-9-13(17-3)15(19-5)14(10-12)18-4/h9-10H,6-8,11H2,1-5H3/p+1
InChIKeyLXWFMMZBGPQRAS-UHFFFAOYSA-O
MW268.38 g/mol
LogP1.53
Rot. Bonds8

About butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium (PubChem CID 7317677) has the molecular formula C15H26NO3+ and a molecular weight of 268.38 g/mol. Its IUPAC name is butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namebutyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
PubChem CID7317677
Molecular FormulaC15H26NO3+
Molecular Weight268.38 g/mol
Exact Mass268.19
IUPAC Namebutyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
SMILESCCCC[NH+](C)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-7-8-16(2)11-12-9-13(17-3)15(19-5)14(10-12)18-4/h9-10H,6-8,11H2,1-5H3/p+1
InChIKeyLXWFMMZBGPQRAS-UHFFFAOYSA-O
XLogP1.53
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 14089100
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-butoxyethanamine
CID 61170090
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The IUPAC name of butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium (CID 7317677) is butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium.
What is the SMILES notation for butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The canonical SMILES for butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium is CCCC[NH+](C)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The InChIKey is LXWFMMZBGPQRAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25NO3/c1-6-7-8-16(2)11-12-9-13(17-3)15(19-5)14(10-12)18-4/h9-10H,6-8,11H2,1-5H3/p+1.
What are the key properties of butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium has a molecular weight of 268.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7317677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).