1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine

C11H16FNO2 — CID 117304180

IUPAC1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
SMILESCCc1c(CNOC)cc(F)cc1OC
InChIInChI=1S/C11H16FNO2/c1-4-10-8(7-13-15-3)5-9(12)6-11(10)14-2/h5-6,13H,4,7H2,1-3H3
InChIKeyAIQXZWNZCRLORU-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine

1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117304180) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
PubChem CID117304180
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
SMILESCCc1c(CNOC)cc(F)cc1OC
InChIInChI=1S/C11H16FNO2/c1-4-10-8(7-13-15-3)5-9(12)6-11(10)14-2/h5-6,13H,4,7H2,1-3H3
InChIKeyAIQXZWNZCRLORU-UHFFFAOYSA-N
XLogP2.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117322147
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365
2-(2-ethyl-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117324853

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine (CID 117304180) is 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine is CCc1c(CNOC)cc(F)cc1OC.
What is the InChIKey of 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is AIQXZWNZCRLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-4-10-8(7-13-15-3)5-9(12)6-11(10)14-2/h5-6,13H,4,7H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 213.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117304180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).