2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine

C11H17NO2 — CID 55253717

IUPAC2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(CCN)ccc1OC
InChIInChI=1S/C11H17NO2/c1-13-8-10-7-9(5-6-12)3-4-11(10)14-2/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyXIHTYHSVOQATDO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds5

About 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine

2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine (PubChem CID 55253717) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
PubChem CID55253717
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(CCN)ccc1OC
InChIInChI=1S/C11H17NO2/c1-13-8-10-7-9(5-6-12)3-4-11(10)14-2/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyXIHTYHSVOQATDO-UHFFFAOYSA-N
XLogP1.34
TPSA44.48 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine (CID 55253717) is 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine is COCc1cc(CCN)ccc1OC.
What is the InChIKey of 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
The InChIKey is XIHTYHSVOQATDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-13-8-10-7-9(5-6-12)3-4-11(10)14-2/h3-4,7H,5-6,8,12H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine?
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 55253717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).