3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine

C13H18BrNO2 — CID 79465786

IUPAC3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
SMILESCOc1ccc(Br)cc1COC1CCC(N)C1
InChIInChI=1S/C13H18BrNO2/c1-16-13-5-2-10(14)6-9(13)8-17-12-4-3-11(15)7-12/h2,5-6,11-12H,3-4,7-8,15H2,1H3
InChIKeyBMFQZDFBKQVQPN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.85
Rot. Bonds4

About 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine

3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine (PubChem CID 79465786) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
PubChem CID79465786
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
SMILESCOc1ccc(Br)cc1COC1CCC(N)C1
InChIInChI=1S/C13H18BrNO2/c1-16-13-5-2-10(14)6-9(13)8-17-12-4-3-11(15)7-12/h2,5-6,11-12H,3-4,7-8,15H2,1H3
InChIKeyBMFQZDFBKQVQPN-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene
CID 64730795
2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633518
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234951
3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine
CID 79466114
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine
CID 20628476
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
5-bromo-2-[(3,4-dimethylcyclohexyl)oxymethyl]aniline
CID 114380858
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine (CID 79465786) is 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine is COc1ccc(Br)cc1COC1CCC(N)C1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine?
The InChIKey is BMFQZDFBKQVQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-13-5-2-10(14)6-9(13)8-17-12-4-3-11(15)7-12/h2,5-6,11-12H,3-4,7-8,15H2,1H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine?
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine has a molecular weight of 300.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine is sourced from PubChem (CID 79465786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).