3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol

C15H22BrNO3 — CID 103270665

IUPAC3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cc(CNCC2CCC(O)C2)cc(Br)c1OC
InChIInChI=1S/C15H22BrNO3/c1-19-14-7-11(6-13(16)15(14)20-2)9-17-8-10-3-4-12(18)5-10/h6-7,10,12,17-18H,3-5,8-9H2,1-2H3
InChIKeyBGVKGXSLQKOZHK-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.72
Rot. Bonds6

About 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol

3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270665) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103270665
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cc(CNCC2CCC(O)C2)cc(Br)c1OC
InChIInChI=1S/C15H22BrNO3/c1-19-14-7-11(6-13(16)15(14)20-2)9-17-8-10-3-4-12(18)5-10/h6-7,10,12,17-18H,3-5,8-9H2,1-2H3
InChIKeyBGVKGXSLQKOZHK-UHFFFAOYSA-N
XLogP2.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411813
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
3-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270686
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-cyclopentylmethanamine
CID 43431113
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 16766052
4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106129848
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62360308
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594116

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol (CID 103270665) is 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol is COc1cc(CNCC2CCC(O)C2)cc(Br)c1OC.
What is the InChIKey of 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is BGVKGXSLQKOZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-19-14-7-11(6-13(16)15(14)20-2)9-17-8-10-3-4-12(18)5-10/h6-7,10,12,17-18H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 344.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).