3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol

C13H18BrNO2 — CID 80561589

IUPAC3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol
SMILESCOc1ccc(Br)c(CC2(O)CCC(N)C2)c1
InChIInChI=1S/C13H18BrNO2/c1-17-11-2-3-12(14)9(6-11)7-13(16)5-4-10(15)8-13/h2-3,6,10,16H,4-5,7-8,15H2,1H3
InChIKeyQHPDMVBXHPNXEY-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol

3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol (PubChem CID 80561589) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol
PubChem CID80561589
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol
SMILESCOc1ccc(Br)c(CC2(O)CCC(N)C2)c1
InChIInChI=1S/C13H18BrNO2/c1-17-11-2-3-12(14)9(6-11)7-13(16)5-4-10(15)8-13/h2-3,6,10,16H,4-5,7-8,15H2,1H3
InChIKeyQHPDMVBXHPNXEY-UHFFFAOYSA-N
XLogP2.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467434
4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 65327796
3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65327604
1-bromo-2-[(3-bromo-1-methylcyclopentyl)methyl]-4-methoxybenzene
CID 116540736
[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65389985
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
4-[(2-bromo-5-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-ol
CID 65328049
3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65326004
[4-[(2-bromo-5-methoxyphenyl)methyl]oxan-4-yl]methanamine
CID 65326731
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65423677
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol (CID 80561589) is 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol is COc1ccc(Br)c(CC2(O)CCC(N)C2)c1.
What is the InChIKey of 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol?
The InChIKey is QHPDMVBXHPNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-11-2-3-12(14)9(6-11)7-13(16)5-4-10(15)8-13/h2-3,6,10,16H,4-5,7-8,15H2,1H3.
What are the key properties of 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol?
3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-bromo-5-methoxyphenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 80561589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).