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

C9H12BrNO — CID 117331823

IUPAC1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
SMILESCONCc1cccc(C)c1Br
InChIInChI=1S/C9H12BrNO/c1-7-4-3-5-8(9(7)10)6-11-12-2/h3-5,11H,6H2,1-2H3
InChIKeyQGUACWSTINYWOF-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.41
Rot. Bonds3

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

1-(2-bromo-3-methylphenyl)-N-methoxymethanamine (PubChem CID 117331823) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
PubChem CID117331823
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
SMILESCONCc1cccc(C)c1Br
InChIInChI=1S/C9H12BrNO/c1-7-4-3-5-8(9(7)10)6-11-12-2/h3-5,11H,6H2,1-2H3
InChIKeyQGUACWSTINYWOF-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.41
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

1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460987
(2-bromo-3-methylphenyl)methylurea
CID 91662331
1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
CID 117390328
N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 54347054
N-[(2-bromo-3-methylphenyl)methyl]-2-chloro-2-fluoroacetamide
CID 166428055
N'-[(2-bromo-3-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107982204
1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
CID 117404014
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
3-(2-bromo-3-methylphenyl)propanal
CID 117326157
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
methyl (2S)-2-[(2-bromo-3-methylphenyl)methylamino]-2-pyridin-3-ylacetate
CID 124621854

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine (CID 117331823) is 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine is CONCc1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine?
The InChIKey is QGUACWSTINYWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7-4-3-5-8(9(7)10)6-11-12-2/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine?
1-(2-bromo-3-methylphenyl)-N-methoxymethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117331823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).