5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol

C15H23NO3 — CID 63727270

IUPAC5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCC2CCOCC2)c(O)c1
InChIInChI=1S/C15H23NO3/c1-11(16-10-12-5-7-19-8-6-12)14-4-3-13(18-2)9-15(14)17/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3
InChIKeyGFLJEADLQOJTEL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.48
Rot. Bonds5

About 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol

5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol (PubChem CID 63727270) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol
PubChem CID63727270
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCC2CCOCC2)c(O)c1
InChIInChI=1S/C15H23NO3/c1-11(16-10-12-5-7-19-8-6-12)14-4-3-13(18-2)9-15(14)17/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3
InChIKeyGFLJEADLQOJTEL-UHFFFAOYSA-N
XLogP2.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
2-[1-(oxolan-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 54931891
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 43201413

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol (CID 63727270) is 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol is COc1ccc(C(C)NCC2CCOCC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol?
The InChIKey is GFLJEADLQOJTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-10-12-5-7-19-8-6-12)14-4-3-13(18-2)9-15(14)17/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3.
What are the key properties of 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol?
5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 63727270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).