1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine

C10H13F2NO — CID 117289981

IUPAC1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
SMILESCCc1cc(F)c(F)c(CNOC)c1
InChIInChI=1S/C10H13F2NO/c1-3-7-4-8(6-13-14-2)10(12)9(11)5-7/h4-5,13H,3,6H2,1-2H3
InChIKeyUZTRDHXVUGXDQI-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.18
Rot. Bonds4

About 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine

1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine (PubChem CID 117289981) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
PubChem CID117289981
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
SMILESCCc1cc(F)c(F)c(CNOC)c1
InChIInChI=1S/C10H13F2NO/c1-3-7-4-8(6-13-14-2)10(12)9(11)5-7/h4-5,13H,3,6H2,1-2H3
InChIKeyUZTRDHXVUGXDQI-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
(5-ethyl-2,3-difluorophenyl)methanol
CID 117276930
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
N-methoxy-1-(2,3,5-trifluoro-4-methylsulfanylphenyl)methanamine
CID 117346251
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
CID 117414396
1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
CID 117424940
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117304180
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine (CID 117289981) is 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine is CCc1cc(F)c(F)c(CNOC)c1.
What is the InChIKey of 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine?
The InChIKey is UZTRDHXVUGXDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-3-7-4-8(6-13-14-2)10(12)9(11)5-7/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine?
1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 117289981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).