N-[(2,6-dimethoxyphenyl)methyl]ethanamine

C11H17NO2 — CID 43163718

IUPACN-[(2,6-dimethoxyphenyl)methyl]ethanamine
SMILESCCNCc1c(OC)cccc1OC
InChIInChI=1S/C11H17NO2/c1-4-12-8-9-10(13-2)6-5-7-11(9)14-3/h5-7,12H,4,8H2,1-3H3
InChIKeySMZATNNTMOMMHJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.81
Rot. Bonds5

About N-[(2,6-dimethoxyphenyl)methyl]ethanamine

N-[(2,6-dimethoxyphenyl)methyl]ethanamine (PubChem CID 43163718) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]ethanamine
PubChem CID43163718
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]ethanamine
SMILESCCNCc1c(OC)cccc1OC
InChIInChI=1S/C11H17NO2/c1-4-12-8-9-10(13-2)6-5-7-11(9)14-3/h5-7,12H,4,8H2,1-3H3
InChIKeySMZATNNTMOMMHJ-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115407135
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
3-methoxy-2-propylphenol
CID 10607156
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
CID 117301707
N-[(2,6-dimethoxyphenyl)methyl]-1-[(3S)-thiolan-3-yl]methanamine
CID 125142903
N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 19623033
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]ethanamine (CID 43163718) is N-[(2,6-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]ethanamine is CCNCc1c(OC)cccc1OC.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is SMZATNNTMOMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-12-8-9-10(13-2)6-5-7-11(9)14-3/h5-7,12H,4,8H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]ethanamine?
N-[(2,6-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43163718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).