4-bromo-2-[(2-ethoxypropylamino)methyl]phenol

C12H18BrNO2 — CID 115655656

IUPAC4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
SMILESCCOC(C)CNCc1cc(Br)ccc1O
InChIInChI=1S/C12H18BrNO2/c1-3-16-9(2)7-14-8-10-6-11(13)4-5-12(10)15/h4-6,9,14-15H,3,7-8H2,1-2H3
InChIKeyVCDUTGOSJMEKSB-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.67
Rot. Bonds6

About 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol

4-bromo-2-[(2-ethoxypropylamino)methyl]phenol (PubChem CID 115655656) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
PubChem CID115655656
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
SMILESCCOC(C)CNCc1cc(Br)ccc1O
InChIInChI=1S/C12H18BrNO2/c1-3-16-9(2)7-14-8-10-6-11(13)4-5-12(10)15/h4-6,9,14-15H,3,7-8H2,1-2H3
InChIKeyVCDUTGOSJMEKSB-UHFFFAOYSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588373
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
2-[(2,2-diethoxyethylamino)methyl]-4-methylphenol
CID 78960001
2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
CID 113477259
2-[(2,2-diethoxyethylamino)methyl]-4-fluorophenol
CID 107694482
4-bromo-2-[(pentan-2-ylamino)methyl]phenol
CID 103636959
N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
CID 115693242
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
4-bromo-2-[(but-2-ynylamino)methyl]phenol
CID 115866209
N-[(5-bromo-2-chlorophenyl)methyl]-2-methoxypropan-1-amine
CID 102795107
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol?
The IUPAC name of 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol (CID 115655656) is 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol is CCOC(C)CNCc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol?
The InChIKey is VCDUTGOSJMEKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-3-16-9(2)7-14-8-10-6-11(13)4-5-12(10)15/h4-6,9,14-15H,3,7-8H2,1-2H3.
What are the key properties of 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol?
4-bromo-2-[(2-ethoxypropylamino)methyl]phenol has a molecular weight of 288.19 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-ethoxypropylamino)methyl]phenol is sourced from PubChem (CID 115655656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).