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

C16H24BrNO2 — CID 60694517

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
SMILESCOc1ccc(Br)cc1CN(CCO)C1CCCCC1
InChIInChI=1S/C16H24BrNO2/c1-20-16-8-7-14(17)11-13(16)12-18(9-10-19)15-5-3-2-4-6-15/h7-8,11,15,19H,2-6,9-10,12H2,1H3
InChIKeyIHKUWSGGEFWBPA-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.58
Rot. Bonds6

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

2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol (PubChem CID 60694517) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
PubChem CID60694517
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
SMILESCOc1ccc(Br)cc1CN(CCO)C1CCCCC1
InChIInChI=1S/C16H24BrNO2/c1-20-16-8-7-14(17)11-13(16)12-18(9-10-19)15-5-3-2-4-6-15/h7-8,11,15,19H,2-6,9-10,12H2,1H3
InChIKeyIHKUWSGGEFWBPA-UHFFFAOYSA-N
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-chloroethyl)cyclopentanamine
CID 55182777
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
3-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]propanethioamide
CID 54997344
3-[3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 102869818
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol (CID 60694517) is 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol is COc1ccc(Br)cc1CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol?
The InChIKey is IHKUWSGGEFWBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-20-16-8-7-14(17)11-13(16)12-18(9-10-19)15-5-3-2-4-6-15/h7-8,11,15,19H,2-6,9-10,12H2,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol?
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol has a molecular weight of 342.28 g/mol, XLogP of 3.58, 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-cyclohexylamino]ethanol is sourced from PubChem (CID 60694517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).