1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine

C10H14BrNO2 — CID 117404014

IUPAC1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(C)cc(OC)c1Br
InChIInChI=1S/C10H14BrNO2/c1-7-4-8(6-12-14-3)10(11)9(5-7)13-2/h4-5,12H,6H2,1-3H3
InChIKeyBEMSOAUFCYNPSG-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.42
Rot. Bonds4

About 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine

1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine (PubChem CID 117404014) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
PubChem CID117404014
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(C)cc(OC)c1Br
InChIInChI=1S/C10H14BrNO2/c1-7-4-8(6-12-14-3)10(11)9(5-7)13-2/h4-5,12H,6H2,1-3H3
InChIKeyBEMSOAUFCYNPSG-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.42
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-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117465379
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
CID 117331823
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
CID 117330352
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine (CID 117404014) is 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine is CONCc1cc(C)cc(OC)c1Br.
What is the InChIKey of 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine?
The InChIKey is BEMSOAUFCYNPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-4-8(6-12-14-3)10(11)9(5-7)13-2/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine?
1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine has a molecular weight of 260.13 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117404014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).