1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine

C10H13F2NO3 — CID 117337456

IUPAC1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(OC)c(F)cc(F)c1OC
InChIInChI=1S/C10H13F2NO3/c1-14-9-6(5-13-16-3)10(15-2)8(12)4-7(9)11/h4,13H,5H2,1-3H3
InChIKeyUIQDJMUIQHKYCU-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.63
Rot. Bonds5

About 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine

1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117337456) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117337456
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(OC)c(F)cc(F)c1OC
InChIInChI=1S/C10H13F2NO3/c1-14-9-6(5-13-16-3)10(15-2)8(12)4-7(9)11/h4,13H,5H2,1-3H3
InChIKeyUIQDJMUIQHKYCU-UHFFFAOYSA-N
XLogP1.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.63
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-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
CID 117347914
4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol
CID 117293074
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117495457
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine (CID 117337456) is 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine is CONCc1c(OC)c(F)cc(F)c1OC.
What is the InChIKey of 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is UIQDJMUIQHKYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3/c1-14-9-6(5-13-16-3)10(15-2)8(12)4-7(9)11/h4,13H,5H2,1-3H3.
What are the key properties of 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine?
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 233.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117337456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).