N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine

C11H17NO3 — CID 117301686

IUPACN-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cc(OC)ccc1CNOC
InChIInChI=1S/C11H17NO3/c1-13-8-10-6-11(14-2)5-4-9(10)7-12-15-3/h4-6,12H,7-8H2,1-3H3
InChIKeyKUBIRUXRVGYEFA-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.49
Rot. Bonds6

About N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine

N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine (PubChem CID 117301686) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine
PubChem CID117301686
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cc(OC)ccc1CNOC
InChIInChI=1S/C11H17NO3/c1-13-8-10-6-11(14-2)5-4-9(10)7-12-15-3/h4-6,12H,7-8H2,1-3H3
InChIKeyKUBIRUXRVGYEFA-UHFFFAOYSA-N
XLogP1.49
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
CID 117300552
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
CID 117414396
1-[5-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117286314
1-[(2,4-dimethoxyphenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111878568
1-[(2,4-dimethoxyphenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111878569
[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117343179
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
1-(methoxymethyl)-4-(4-methoxyphenyl)-2-methylbenzene
CID 91108863
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine (CID 117301686) is N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine is COCc1cc(OC)ccc1CNOC.
What is the InChIKey of N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine?
The InChIKey is KUBIRUXRVGYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-13-8-10-6-11(14-2)5-4-9(10)7-12-15-3/h4-6,12H,7-8H2,1-3H3.
What are the key properties of N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine?
N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-methoxy-2-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 117301686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).