1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine

C11H16FNO3 — CID 117330352

IUPAC1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
SMILESCONCc1cc(CF)cc(OC)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-10-5-8(6-12)4-9(7-13-16-3)11(10)15-2/h4-5,13H,6-7H2,1-3H3
InChIKeyPPUKLEKIRUCAAV-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.82
Rot. Bonds6

About 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine

1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine (PubChem CID 117330352) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
PubChem CID117330352
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
SMILESCONCc1cc(CF)cc(OC)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-10-5-8(6-12)4-9(7-13-16-3)11(10)15-2/h4-5,13H,6-7H2,1-3H3
InChIKeyPPUKLEKIRUCAAV-UHFFFAOYSA-N
XLogP1.82
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.82
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-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117330369
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
CID 118818993
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
CID 117347914
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365

Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine?
The IUPAC name of 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine (CID 117330352) is 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine is CONCc1cc(CF)cc(OC)c1OC.
What is the InChIKey of 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine?
The InChIKey is PPUKLEKIRUCAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-14-10-5-8(6-12)4-9(7-13-16-3)11(10)15-2/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine?
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine has a molecular weight of 229.25 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine is sourced from PubChem (CID 117330352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).