2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol

C12H18BrNO3 — CID 30983525

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1ccc(Br)cc1CN(CCO)CCO
InChIInChI=1S/C12H18BrNO3/c1-17-12-3-2-11(13)8-10(12)9-14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,9H2,1H3
InChIKeyYSPWBQRJNURBAT-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.24
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 30983525) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID30983525
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1ccc(Br)cc1CN(CCO)CCO
InChIInChI=1S/C12H18BrNO3/c1-17-12-3-2-11(13)8-10(12)9-14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,9H2,1H3
InChIKeyYSPWBQRJNURBAT-UHFFFAOYSA-N
XLogP1.24
TPSA52.93 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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
CID 30981796
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
CID 162503231
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
2-[(5-bromo-2-fluorophenyl)methyl-(2,2-dimethoxyethyl)amino]ethanol
CID 122143727
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol (CID 30983525) is 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol is COc1ccc(Br)cc1CN(CCO)CCO.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YSPWBQRJNURBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-17-12-3-2-11(13)8-10(12)9-14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,9H2,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 304.18 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 30983525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).