4-bromo-2-(ethylaminomethyl)-6-methylphenol

C10H14BrNO — CID 112553820

IUPAC4-bromo-2-(ethylaminomethyl)-6-methylphenol
SMILESCCNCc1cc(Br)cc(C)c1O
InChIInChI=1S/C10H14BrNO/c1-3-12-6-8-5-9(11)4-7(2)10(8)13/h4-5,12-13H,3,6H2,1-2H3
InChIKeyHRHNFVKWNHGBOU-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.57
Rot. Bonds3

About 4-bromo-2-(ethylaminomethyl)-6-methylphenol

4-bromo-2-(ethylaminomethyl)-6-methylphenol (PubChem CID 112553820) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-bromo-2-(ethylaminomethyl)-6-methylphenol.

Molecular Properties

Compound Name4-bromo-2-(ethylaminomethyl)-6-methylphenol
PubChem CID112553820
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-bromo-2-(ethylaminomethyl)-6-methylphenol
SMILESCCNCc1cc(Br)cc(C)c1O
InChIInChI=1S/C10H14BrNO/c1-3-12-6-8-5-9(11)4-7(2)10(8)13/h4-5,12-13H,3,6H2,1-2H3
InChIKeyHRHNFVKWNHGBOU-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methyl-6-[(propan-2-ylamino)methyl]phenol
CID 112554002
2-[(5-bromo-2-hydroxy-3-methylphenyl)methylamino]propane-1,3-diol
CID 115907842
2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83893529
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]butan-2-ol
CID 112620164
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol
CID 114492362
N-[[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 115961275
2-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-N-propan-2-ylacetamide
CID 115961183
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
CID 117393315
N-[[5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]ethanamine
CID 112620249
N-[[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]methyl]ethanamine
CID 115961171
N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(ethylaminomethyl)-6-methylphenol?
The IUPAC name of 4-bromo-2-(ethylaminomethyl)-6-methylphenol (CID 112553820) is 4-bromo-2-(ethylaminomethyl)-6-methylphenol.
What is the SMILES notation for 4-bromo-2-(ethylaminomethyl)-6-methylphenol?
The canonical SMILES for 4-bromo-2-(ethylaminomethyl)-6-methylphenol is CCNCc1cc(Br)cc(C)c1O.
What is the InChIKey of 4-bromo-2-(ethylaminomethyl)-6-methylphenol?
The InChIKey is HRHNFVKWNHGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-12-6-8-5-9(11)4-7(2)10(8)13/h4-5,12-13H,3,6H2,1-2H3.
What are the key properties of 4-bromo-2-(ethylaminomethyl)-6-methylphenol?
4-bromo-2-(ethylaminomethyl)-6-methylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(ethylaminomethyl)-6-methylphenol is sourced from PubChem (CID 112553820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).