4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol

C14H21NO3 — CID 54861693

IUPAC4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol
SMILESCCOCc1ccccc1CNC1COCC1O
InChIInChI=1S/C14H21NO3/c1-2-17-8-12-6-4-3-5-11(12)7-15-13-9-18-10-14(13)16/h3-6,13-16H,2,7-10H2,1H3
InChIKeyIYAOQFXZXWJNIV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.07
Rot. Bonds6

About 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol

4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol (PubChem CID 54861693) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol
PubChem CID54861693
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol
SMILESCCOCc1ccccc1CNC1COCC1O
InChIInChI=1S/C14H21NO3/c1-2-17-8-12-6-4-3-5-11(12)7-15-13-9-18-10-14(13)16/h3-6,13-16H,2,7-10H2,1H3
InChIKeyIYAOQFXZXWJNIV-UHFFFAOYSA-N
XLogP1.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79911557
4-[(2-methoxy-3-pyridinyl)methylamino]oxolan-3-ol
CID 60908729
4-[(3-bromo-2-hydroxyphenyl)methylamino]oxolan-3-ol
CID 115919658
N-[[2-(ethoxymethyl)phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 54861845
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
2-[[2-(ethoxymethyl)phenyl]methyl]oxirane
CID 151772121
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol?
The IUPAC name of 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol (CID 54861693) is 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol.
What is the SMILES notation for 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol?
The canonical SMILES for 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol is CCOCc1ccccc1CNC1COCC1O.
What is the InChIKey of 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol?
The InChIKey is IYAOQFXZXWJNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-17-8-12-6-4-3-5-11(12)7-15-13-9-18-10-14(13)16/h3-6,13-16H,2,7-10H2,1H3.
What are the key properties of 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol?
4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol is sourced from PubChem (CID 54861693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).