2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol

C15H22BrNO3 — CID 2992556

IUPAC2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol
SMILESCOc1cc(CNCCO)cc(Br)c1OC1CCCC1
InChIInChI=1S/C15H22BrNO3/c1-19-14-9-11(10-17-6-7-18)8-13(16)15(14)20-12-4-2-3-5-12/h8-9,12,17-18H,2-7,10H2,1H3
InChIKeyOONMNHWAPZCVML-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.86
Rot. Bonds7

About 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol

2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol (PubChem CID 2992556) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol
PubChem CID2992556
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol
SMILESCOc1cc(CNCCO)cc(Br)c1OC1CCCC1
InChIInChI=1S/C15H22BrNO3/c1-19-14-9-11(10-17-6-7-18)8-13(16)15(14)20-12-4-2-3-5-12/h8-9,12,17-18H,2-7,10H2,1H3
InChIKeyOONMNHWAPZCVML-UHFFFAOYSA-N
XLogP2.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dibromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 107742316
2-[2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17332395
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 17054461
2-[2-bromo-6-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 55218721
2-[2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155495
1-(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)-N-methylmethanamine
CID 43626927
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-cyclopentylmethanamine
CID 43431113
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
CID 17214225
1-[3-bromo-5-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107134312

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol (CID 2992556) is 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol is COc1cc(CNCCO)cc(Br)c1OC1CCCC1.
What is the InChIKey of 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol?
The InChIKey is OONMNHWAPZCVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-19-14-9-11(10-17-6-7-18)8-13(16)15(14)20-12-4-2-3-5-12/h8-9,12,17-18H,2-7,10H2,1H3.
What are the key properties of 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol?
2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol has a molecular weight of 344.25 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 2992556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).