2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol

C16H25NO4 — CID 63055902

IUPAC2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol
SMILESCOCCNCc1ccc(OC2CCCC2O)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-19-9-8-17-11-12-6-7-15(16(10-12)20-2)21-14-5-3-4-13(14)18/h6-7,10,13-14,17-18H,3-5,8-9,11H2,1-2H3
InChIKeyWYNJKVFLFDJPMC-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol

2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol (PubChem CID 63055902) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol
PubChem CID63055902
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol
SMILESCOCCNCc1ccc(OC2CCCC2O)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-19-9-8-17-11-12-6-7-15(16(10-12)20-2)21-14-5-3-4-13(14)18/h6-7,10,13-14,17-18H,3-5,8-9,11H2,1-2H3
InChIKeyWYNJKVFLFDJPMC-UHFFFAOYSA-N
XLogP1.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol
CID 63324546
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60882214
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol
CID 66349318
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
2-[4-bromo-2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961778

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol (CID 63055902) is 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol is COCCNCc1ccc(OC2CCCC2O)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol?
The InChIKey is WYNJKVFLFDJPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-19-9-8-17-11-12-6-7-15(16(10-12)20-2)21-14-5-3-4-13(14)18/h6-7,10,13-14,17-18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol?
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol has a molecular weight of 295.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 63055902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).