2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol

C13H19NO3 — CID 113443332

IUPAC2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
SMILESCOC1(CNCc2ccccc2O)CCOC1
InChIInChI=1S/C13H19NO3/c1-16-13(6-7-17-10-13)9-14-8-11-4-2-3-5-12(11)15/h2-5,14-15H,6-10H2,1H3
InChIKeyXSBIVXDZLSJNFO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.29
Rot. Bonds5

About 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol

2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol (PubChem CID 113443332) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
PubChem CID113443332
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
SMILESCOC1(CNCc2ccccc2O)CCOC1
InChIInChI=1S/C13H19NO3/c1-16-13(6-7-17-10-13)9-14-8-11-4-2-3-5-12(11)15/h2-5,14-15H,6-10H2,1H3
InChIKeyXSBIVXDZLSJNFO-UHFFFAOYSA-N
XLogP1.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.29
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

methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704943
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
1-(2-chloro-5-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 102615943
N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 104759795
methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 104721681
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol (CID 113443332) is 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol is COC1(CNCc2ccccc2O)CCOC1.
What is the InChIKey of 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol?
The InChIKey is XSBIVXDZLSJNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-13(6-7-17-10-13)9-14-8-11-4-2-3-5-12(11)15/h2-5,14-15H,6-10H2,1H3.
What are the key properties of 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol?
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 113443332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).