1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine

C9H11ClFNO2 — CID 117313541

IUPAC1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(Cl)ccc(OC)c1F
InChIInChI=1S/C9H11ClFNO2/c1-13-8-4-3-7(10)6(9(8)11)5-12-14-2/h3-4,12H,5H2,1-2H3
InChIKeyWPICWCSONZLBED-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.14
Rot. Bonds4

About 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine

1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117313541) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
PubChem CID117313541
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(Cl)ccc(OC)c1F
InChIInChI=1S/C9H11ClFNO2/c1-13-8-4-3-7(10)6(9(8)11)5-12-14-2/h3-4,12H,5H2,1-2H3
InChIKeyWPICWCSONZLBED-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 52.14
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-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
ethyl 2-amino-3-(6-chloro-2-fluoro-3-methoxyphenyl)propanoate
CID 170885238
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
1-(6-chloro-3-methoxy-2-nitrophenyl)-N-methylmethanamine
CID 83894563

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine (CID 117313541) is 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine is CONCc1c(Cl)ccc(OC)c1F.
What is the InChIKey of 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is WPICWCSONZLBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-13-8-4-3-7(10)6(9(8)11)5-12-14-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 219.64 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117313541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).