2-bromo-6-[(ethoxyamino)methyl]phenol

C9H12BrNO2 — CID 82709957

IUPAC2-bromo-6-[(ethoxyamino)methyl]phenol
SMILESCCONCc1cccc(Br)c1O
InChIInChI=1S/C9H12BrNO2/c1-2-13-11-6-7-4-3-5-8(10)9(7)12/h3-5,11-12H,2,6H2,1H3
InChIKeyDZIPAXYVWKMHSS-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.20
Rot. Bonds4

About 2-bromo-6-[(ethoxyamino)methyl]phenol

2-bromo-6-[(ethoxyamino)methyl]phenol (PubChem CID 82709957) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-bromo-6-[(ethoxyamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(ethoxyamino)methyl]phenol
PubChem CID82709957
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name2-bromo-6-[(ethoxyamino)methyl]phenol
SMILESCCONCc1cccc(Br)c1O
InChIInChI=1S/C9H12BrNO2/c1-2-13-11-6-7-4-3-5-8(10)9(7)12/h3-5,11-12H,2,6H2,1H3
InChIKeyDZIPAXYVWKMHSS-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(ethoxyamino)methyl]-6-methylphenol
CID 112607168
2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
CID 112673065
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-bromo-6-[(2-ethylbutylamino)methyl]phenol
CID 115616914
2-bromo-6-[(3-methylbutylamino)methyl]phenol
CID 61390268
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
CID 82715781
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
2-bromo-6-[(3-methoxypropylamino)methyl]phenol
CID 61390597
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044
2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 61390555
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(ethoxyamino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(ethoxyamino)methyl]phenol (CID 82709957) is 2-bromo-6-[(ethoxyamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(ethoxyamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(ethoxyamino)methyl]phenol is CCONCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[(ethoxyamino)methyl]phenol?
The InChIKey is DZIPAXYVWKMHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-2-13-11-6-7-4-3-5-8(10)9(7)12/h3-5,11-12H,2,6H2,1H3.
What are the key properties of 2-bromo-6-[(ethoxyamino)methyl]phenol?
2-bromo-6-[(ethoxyamino)methyl]phenol has a molecular weight of 246.10 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(ethoxyamino)methyl]phenol is sourced from PubChem (CID 82709957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).