4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol

C12H18BrNO2 — CID 79038153

IUPAC4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol
SMILESCCN(CCOC)Cc1cc(Br)ccc1O
InChIInChI=1S/C12H18BrNO2/c1-3-14(6-7-16-2)9-10-8-11(13)4-5-12(10)15/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyZQERRYDGKMFCHF-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.62
Rot. Bonds6

About 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol

4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol (PubChem CID 79038153) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol
PubChem CID79038153
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol
SMILESCCN(CCOC)Cc1cc(Br)ccc1O
InChIInChI=1S/C12H18BrNO2/c1-3-14(6-7-16-2)9-10-8-11(13)4-5-12(10)15/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyZQERRYDGKMFCHF-UHFFFAOYSA-N
XLogP2.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
CID 107694004
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
4-[[ethyl(2-methoxyethyl)amino]methyl]-2,6-dimethylphenol
CID 82986228
2-(2-bromoethoxy)-N-[(4-bromo-2-fluorophenyl)methyl]-N-ethylethanamine
CID 114263743
4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol
CID 115903850
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306
2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067250
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739
2-[2-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]acetohydrazide
CID 115465453
[4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorophenyl]boronic acid
CID 54970679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol (CID 79038153) is 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol is CCN(CCOC)Cc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol?
The InChIKey is ZQERRYDGKMFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-3-14(6-7-16-2)9-10-8-11(13)4-5-12(10)15/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol?
4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol has a molecular weight of 288.19 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol is sourced from PubChem (CID 79038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).