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

C13H18BrNO2 — CID 60774401

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
SMILESCOc1ccc(Br)cc1CN(CCO)C1CC1
InChIInChI=1S/C13H18BrNO2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9H2,1H3
InChIKeyIGXPRUDYGQDJKB-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.41
Rot. Bonds6

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

2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol (PubChem CID 60774401) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
PubChem CID60774401
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
SMILESCOc1ccc(Br)cc1CN(CCO)C1CC1
InChIInChI=1S/C13H18BrNO2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9H2,1H3
InChIKeyIGXPRUDYGQDJKB-UHFFFAOYSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
3-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]propanethioamide
CID 54997344
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-chloroethyl)cyclopentanamine
CID 55182777
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
3-[3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 102869818
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol (CID 60774401) is 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol is COc1ccc(Br)cc1CN(CCO)C1CC1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
The InChIKey is IGXPRUDYGQDJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol?
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol has a molecular weight of 300.20 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 60774401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).