2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol

C12H18BrNO3 — CID 66535713

IUPAC2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
SMILESCCOc1cc(Br)c(CNCCO)cc1OC
InChIInChI=1S/C12H18BrNO3/c1-3-17-12-7-10(13)9(6-11(12)16-2)8-14-4-5-15/h6-7,14-15H,3-5,8H2,1-2H3
InChIKeyKDBNUZGAUDGINE-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.94
Rot. Bonds7

About 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol

2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol (PubChem CID 66535713) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
PubChem CID66535713
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
SMILESCCOc1cc(Br)c(CNCCO)cc1OC
InChIInChI=1S/C12H18BrNO3/c1-3-17-12-7-10(13)9(6-11(12)16-2)8-14-4-5-15/h6-7,14-15H,3-5,8H2,1-2H3
InChIKeyKDBNUZGAUDGINE-UHFFFAOYSA-N
XLogP1.94
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol 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

2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
2-[5-bromo-4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
CID 2991093
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538298
2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethanol
CID 66532238
2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66533831
2-[3-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66538402
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66535689
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66534132
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 66534133
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66535724

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol (CID 66535713) is 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol is CCOc1cc(Br)c(CNCCO)cc1OC.
What is the InChIKey of 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol?
The InChIKey is KDBNUZGAUDGINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-3-17-12-7-10(13)9(6-11(12)16-2)8-14-4-5-15/h6-7,14-15H,3-5,8H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol?
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol has a molecular weight of 304.18 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 66535713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).