2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol

C13H20BrNO2 — CID 65326713

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H20BrNO2/c1-3-6-15(7-8-16)10-11-9-12(17-2)4-5-13(11)14/h4-5,9,16H,3,6-8,10H2,1-2H3
InChIKeyDXMBZJIICNGFQI-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.66
Rot. Bonds7

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

2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol (PubChem CID 65326713) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
PubChem CID65326713
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H20BrNO2/c1-3-6-15(7-8-16)10-11-9-12(17-2)4-5-13(11)14/h4-5,9,16H,3,6-8,10H2,1-2H3
InChIKeyDXMBZJIICNGFQI-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
CID 65323211
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
CID 30981796
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 102312113
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 102878570
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol (CID 65326713) is 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cc(OC)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol?
The InChIKey is DXMBZJIICNGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-3-6-15(7-8-16)10-11-9-12(17-2)4-5-13(11)14/h4-5,9,16H,3,6-8,10H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol?
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol has a molecular weight of 302.21 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 65326713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).