1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine

C11H17NO3 — CID 117301707

IUPAC1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
SMILESCCOc1cccc(OC)c1CNOC
InChIInChI=1S/C11H17NO3/c1-4-15-11-7-5-6-10(13-2)9(11)8-12-14-3/h5-7,12H,4,8H2,1-3H3
InChIKeyUNADKDNRLCSKRV-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.74
Rot. Bonds6

About 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine

1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117301707) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
PubChem CID117301707
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
SMILESCCOc1cccc(OC)c1CNOC
InChIInChI=1S/C11H17NO3/c1-4-15-11-7-5-6-10(13-2)9(11)8-12-14-3/h5-7,12H,4,8H2,1-3H3
InChIKeyUNADKDNRLCSKRV-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
1-(2-ethoxy-6-methoxyphenyl)propan-2-ol
CID 117300607
N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
CID 117296336
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
CID 83899796
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
N-[(2,6-dimethoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115407135
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine (CID 117301707) is 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine is CCOc1cccc(OC)c1CNOC.
What is the InChIKey of 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is UNADKDNRLCSKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-15-11-7-5-6-10(13-2)9(11)8-12-14-3/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine?
1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117301707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).