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

C10H13F2NO3 — CID 117337458

IUPAC1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(F)c(OC)cc(OC)c1F
InChIInChI=1S/C10H13F2NO3/c1-14-7-4-8(15-2)10(12)6(9(7)11)5-13-16-3/h4,13H,5H2,1-3H3
InChIKeyKBXGJWGAPCTHAZ-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.63
Rot. Bonds5

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

1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117337458) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117337458
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(F)c(OC)cc(OC)c1F
InChIInChI=1S/C10H13F2NO3/c1-14-7-4-8(15-2)10(12)6(9(7)11)5-13-16-3/h4,13H,5H2,1-3H3
InChIKeyKBXGJWGAPCTHAZ-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-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
4,6-difluoro-5-[(methoxyamino)methyl]benzene-1,3-diol
CID 117293074
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117304180
1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
CID 117355207
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine (CID 117337458) is 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine is CONCc1c(F)c(OC)cc(OC)c1F.
What is the InChIKey of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is KBXGJWGAPCTHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3/c1-14-7-4-8(15-2)10(12)6(9(7)11)5-13-16-3/h4,13H,5H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine?
1-(2,6-difluoro-3,5-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-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117337458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).