3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol

C15H23NO4 — CID 103848277

IUPAC3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
SMILESCCOc1cccc(CNCC2(O)CCOC2)c1OC
InChIInChI=1S/C15H23NO4/c1-3-20-13-6-4-5-12(14(13)18-2)9-16-10-15(17)7-8-19-11-15/h4-6,16-17H,3,7-11H2,1-2H3
InChIKeySWHRENHAPMQKNX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.33
Rot. Bonds7

About 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol

3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 103848277) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
PubChem CID103848277
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
SMILESCCOc1cccc(CNCC2(O)CCOC2)c1OC
InChIInChI=1S/C15H23NO4/c1-3-20-13-6-4-5-12(14(13)18-2)9-16-10-15(17)7-8-19-11-15/h4-6,16-17H,3,7-11H2,1-2H3
InChIKeySWHRENHAPMQKNX-UHFFFAOYSA-N
XLogP1.33
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848244
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 62522809
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol (CID 103848277) is 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol is CCOc1cccc(CNCC2(O)CCOC2)c1OC.
What is the InChIKey of 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is SWHRENHAPMQKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-20-13-6-4-5-12(14(13)18-2)9-16-10-15(17)7-8-19-11-15/h4-6,16-17H,3,7-11H2,1-2H3.
What are the key properties of 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol?
3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 281.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).