1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine

C8H8Cl2FNO — CID 131102295

IUPAC1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c1-13-12-4-5-2-3-6(11)8(10)7(5)9/h2-3,12H,4H2,1H3
InChIKeyLIHIQCNQKRXISM-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.78
Rot. Bonds3

About 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine

1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine (PubChem CID 131102295) has the molecular formula C8H8Cl2FNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine
PubChem CID131102295
Molecular FormulaC8H8Cl2FNO
Molecular Weight224.06 g/mol
Exact Mass223.00
IUPAC Name1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c1-13-12-4-5-2-3-6(11)8(10)7(5)9/h2-3,12H,4H2,1H3
InChIKeyLIHIQCNQKRXISM-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-Dichlorobenzylamine
CID 587625
D-103 (FDA NDC: 58264-0109)
CID 11957540
2,3-Dichloro-alpha-methylbenzylamine
CID 1215
(S)-1-(2,3-Dichlorophenyl)ethan-1-amine
CID 6603802
(S)-1-(2,3-dichlorophenyl)ethan-1-amine hydrochloride
CID 131841891
(2,3-Dichlorophenyl)methanamine hydrochloride
CID 22359382
[(2-Chlorophenyl)methyl](methoxy)amine hydrochloride
CID 119031737
(R)-1-(2,3-dichlorophenyl)ethan-1-amine hydrochloride
CID 124080974
n-(3-Chloro-4-fluoro-benzyl)-o-methyl-hydroxylamine
CID 12146882
[(2-Chlorophenyl)methyl](methoxy)amine
CID 13192618
2,3-Dichloro-6-fluorobenzylamine
CID 17750750
n-(2-Chloro-4-fluoro-benzyl)-o-methyl-hydroxylamine
CID 22485666

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine (CID 131102295) is 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine is CONCc1ccc(F)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine?
The InChIKey is LIHIQCNQKRXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FNO/c1-13-12-4-5-2-3-6(11)8(10)7(5)9/h2-3,12H,4H2,1H3.
What are the key properties of 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine?
1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine has a molecular weight of 224.06 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 131102295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).