(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol

C9H11BrFNO2 — CID 101161793

IUPAC(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol
SMILESCON(C)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO2/c1-12(14-2)9(13)7-5-6(10)3-4-8(7)11/h3-5,9,13H,1-2H3
InChIKeyWAYLWUGTCIAQBL-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.07
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol

(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol (PubChem CID 101161793) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol
PubChem CID101161793
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol
SMILESCON(C)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO2/c1-12(14-2)9(13)7-5-6(10)3-4-8(7)11/h3-5,9,13H,1-2H3
InChIKeyWAYLWUGTCIAQBL-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
methyl 3-(5-bromo-2-fluorophenyl)-3-(dimethylamino)propanoate
CID 116910232
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624906
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol (CID 101161793) is (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol is CON(C)C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol?
The InChIKey is WAYLWUGTCIAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-12(14-2)9(13)7-5-6(10)3-4-8(7)11/h3-5,9,13H,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol?
(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol has a molecular weight of 264.09 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol is sourced from PubChem (CID 101161793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).