5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol

C14H21NO3 — CID 78969051

IUPAC5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNC(C)C2CCCO2)c(O)c1
InChIInChI=1S/C14H21NO3/c1-10(14-4-3-7-18-14)15-9-11-5-6-12(17-2)8-13(11)16/h5-6,8,10,14-16H,3-4,7,9H2,1-2H3
InChIKeyKVIHTKYZBCPCHP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds5

About 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol

5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol (PubChem CID 78969051) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
PubChem CID78969051
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNC(C)C2CCCO2)c(O)c1
InChIInChI=1S/C14H21NO3/c1-10(14-4-3-7-18-14)15-9-11-5-6-12(17-2)8-13(11)16/h5-6,8,10,14-16H,3-4,7,9H2,1-2H3
InChIKeyKVIHTKYZBCPCHP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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

N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901
2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268211
4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103902332
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 82893205
(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
CID 95567925
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
methyl 5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]thiophene-2-carboxylate
CID 86789626
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol (CID 78969051) is 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol is COc1ccc(CNC(C)C2CCCO2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol?
The InChIKey is KVIHTKYZBCPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(14-4-3-7-18-14)15-9-11-5-6-12(17-2)8-13(11)16/h5-6,8,10,14-16H,3-4,7,9H2,1-2H3.
What are the key properties of 5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol?
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol has a molecular weight of 251.33 g/mol, XLogP of 2.06, 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-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 78969051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).