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

C15H25NO3 — CID 114491978

IUPAC1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(CNCCOC)cc1
InChIInChI=1S/C15H25NO3/c1-4-15(2,17)12-19-14-7-5-13(6-8-14)11-16-9-10-18-3/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyIAJKRFJNLSRSMC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds9

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

1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol (PubChem CID 114491978) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
PubChem CID114491978
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(CNCCOC)cc1
InChIInChI=1S/C15H25NO3/c1-4-15(2,17)12-19-14-7-5-13(6-8-14)11-16-9-10-18-3/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyIAJKRFJNLSRSMC-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
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

4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
CID 114491574
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 55146817
2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 63190551
2,3-dimethyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114491573
N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]-2-methoxyethanamine
CID 106436928
3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492451
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol (CID 114491978) is 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol is CCC(C)(O)COc1ccc(CNCCOC)cc1.
What is the InChIKey of 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
The InChIKey is IAJKRFJNLSRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-15(2,17)12-19-14-7-5-13(6-8-14)11-16-9-10-18-3/h5-8,16-17H,4,9-12H2,1-3H3.
What are the key properties of 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114491978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).