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

C9H11ClFNO — CID 117292243

IUPAC1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)ccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c1-6-3-4-8(11)9(10)7(6)5-12-13-2/h3-4,12H,5H2,1-2H3
InChIKeyDPAHRVIUZWKNGF-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.44
Rot. Bonds3

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

1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine (PubChem CID 117292243) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
PubChem CID117292243
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
SMILESCONCc1c(C)ccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c1-6-3-4-8(11)9(10)7(6)5-12-13-2/h3-4,12H,5H2,1-2H3
InChIKeyDPAHRVIUZWKNGF-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
CID 117307503
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol
CID 117305950
N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
CID 117327472
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxymethanamine
CID 117361151
1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
CID 176835455
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine (CID 117292243) is 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine is CONCc1c(C)ccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine?
The InChIKey is DPAHRVIUZWKNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6-3-4-8(11)9(10)7(6)5-12-13-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine?
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine has a molecular weight of 203.64 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117292243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).