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

C9H11ClFNO2 — CID 117313548

IUPAC1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)cc(OC)c1Cl
InChIInChI=1S/C9H11ClFNO2/c1-13-8-4-7(11)3-6(9(8)10)5-12-14-2/h3-4,12H,5H2,1-2H3
InChIKeyDINKFCKVNHLTAD-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.14
Rot. Bonds4

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

1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117313548) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
PubChem CID117313548
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)cc(OC)c1Cl
InChIInChI=1S/C9H11ClFNO2/c1-13-8-4-7(11)3-6(9(8)10)5-12-14-2/h3-4,12H,5H2,1-2H3
InChIKeyDINKFCKVNHLTAD-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

2-chloro-1-(chloromethyl)-5-fluoro-3-methoxybenzene
CID 171005344
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117304180
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
CID 117347914
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
CID 117392278
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine (CID 117313548) is 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine is CONCc1cc(F)cc(OC)c1Cl.
What is the InChIKey of 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is DINKFCKVNHLTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-13-8-4-7(11)3-6(9(8)10)5-12-14-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine?
1-(2-chloro-5-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-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117313548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).