(5-bromo-2-methoxyphenyl)-methoxymethanamine

C9H12BrNO2 — CID 116947257

IUPAC(5-bromo-2-methoxyphenyl)-methoxymethanamine
SMILESCOc1ccc(Br)cc1C(N)OC
InChIInChI=1S/C9H12BrNO2/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5,9H,11H2,1-2H3
InChIKeyAEWBOMVPRARXQA-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.06
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-methoxymethanamine

(5-bromo-2-methoxyphenyl)-methoxymethanamine (PubChem CID 116947257) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-methoxymethanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-methoxymethanamine
PubChem CID116947257
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(5-bromo-2-methoxyphenyl)-methoxymethanamine
SMILESCOc1ccc(Br)cc1C(N)OC
InChIInChI=1S/C9H12BrNO2/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5,9H,11H2,1-2H3
InChIKeyAEWBOMVPRARXQA-UHFFFAOYSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-methoxymethanamine?
The IUPAC name of (5-bromo-2-methoxyphenyl)-methoxymethanamine (CID 116947257) is (5-bromo-2-methoxyphenyl)-methoxymethanamine.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-methoxymethanamine?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-methoxymethanamine is COc1ccc(Br)cc1C(N)OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-methoxymethanamine?
The InChIKey is AEWBOMVPRARXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5,9H,11H2,1-2H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-methoxymethanamine?
(5-bromo-2-methoxyphenyl)-methoxymethanamine has a molecular weight of 246.10 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-methoxymethanamine is sourced from PubChem (CID 116947257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).