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

C16H25NO3 — CID 63324546

IUPAC2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol
SMILESCOCCNCc1cc(C)ccc1OC1CCCC1O
InChIInChI=1S/C16H25NO3/c1-12-6-7-15(20-16-5-3-4-14(16)18)13(10-12)11-17-8-9-19-2/h6-7,10,14,16-18H,3-5,8-9,11H2,1-2H3
InChIKeyXQYAUSFPWRJWJV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.02
Rot. Bonds7

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

2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol (PubChem CID 63324546) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol
PubChem CID63324546
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol
SMILESCOCCNCc1cc(C)ccc1OC1CCCC1O
InChIInChI=1S/C16H25NO3/c1-12-6-7-15(20-16-5-3-4-14(16)18)13(10-12)11-17-8-9-19-2/h6-7,10,14,16-18H,3-5,8-9,11H2,1-2H3
InChIKeyXQYAUSFPWRJWJV-UHFFFAOYSA-N
XLogP2.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.02
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

2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63055902
2-[4-bromo-2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961778
2-[4-bromo-2-(propylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60881988
2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 107695812
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine
CID 63325059
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine
CID 107891033
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]cyclopentan-1-ol
CID 60889044
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol (CID 63324546) is 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol is COCCNCc1cc(C)ccc1OC1CCCC1O.
What is the InChIKey of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol?
The InChIKey is XQYAUSFPWRJWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-6-7-15(20-16-5-3-4-14(16)18)13(10-12)11-17-8-9-19-2/h6-7,10,14,16-18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol?
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol is sourced from PubChem (CID 63324546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).