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

C15H22BrNO2 — CID 65326761

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
SMILESCOc1ccc(Br)c(CN(CCO)C2CCCC2)c1
InChIInChI=1S/C15H22BrNO2/c1-19-14-6-7-15(16)12(10-14)11-17(8-9-18)13-4-2-3-5-13/h6-7,10,13,18H,2-5,8-9,11H2,1H3
InChIKeyPGGSALSSWLUQHV-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.19
Rot. Bonds6

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

2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol (PubChem CID 65326761) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
PubChem CID65326761
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
SMILESCOc1ccc(Br)c(CN(CCO)C2CCCC2)c1
InChIInChI=1S/C15H22BrNO2/c1-19-14-6-7-15(16)12(10-14)11-17(8-9-18)13-4-2-3-5-13/h6-7,10,13,18H,2-5,8-9,11H2,1H3
InChIKeyPGGSALSSWLUQHV-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
CID 65327043
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol (CID 65326761) is 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol is COc1ccc(Br)c(CN(CCO)C2CCCC2)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol?
The InChIKey is PGGSALSSWLUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-19-14-6-7-15(16)12(10-14)11-17(8-9-18)13-4-2-3-5-13/h6-7,10,13,18H,2-5,8-9,11H2,1H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol?
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol has a molecular weight of 328.25 g/mol, XLogP of 3.19, 6 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-cyclopentylamino]ethanol is sourced from PubChem (CID 65326761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).