5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol

C14H21NO3 — CID 54931708

IUPAC5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCC2CCOC2)c(O)c1
InChIInChI=1S/C14H21NO3/c1-10(15-8-11-5-6-18-9-11)13-4-3-12(17-2)7-14(13)16/h3-4,7,10-11,15-16H,5-6,8-9H2,1-2H3
InChIKeyBLXXPWGZHODQMI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.09
Rot. Bonds5

About 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol

5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol (PubChem CID 54931708) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
PubChem CID54931708
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCC2CCOC2)c(O)c1
InChIInChI=1S/C14H21NO3/c1-10(15-8-11-5-6-18-9-11)13-4-3-12(17-2)7-14(13)16/h3-4,7,10-11,15-16H,5-6,8-9H2,1-2H3
InChIKeyBLXXPWGZHODQMI-UHFFFAOYSA-N
XLogP2.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.09
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-(oxan-4-ylmethylamino)ethyl]phenol
CID 63727270
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
2-[1-(oxolan-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 54931891
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol (CID 54931708) is 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol is COc1ccc(C(C)NCC2CCOC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol?
The InChIKey is BLXXPWGZHODQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15-8-11-5-6-18-9-11)13-4-3-12(17-2)7-14(13)16/h3-4,7,10-11,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol?
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol has a molecular weight of 251.33 g/mol, XLogP of 2.09, 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-(oxolan-3-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 54931708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).