2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol

C15H23NO4 — CID 104759790

IUPAC2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCC2(OC)CCOC2)ccc1O
InChIInChI=1S/C15H23NO4/c1-11(12-4-5-13(17)14(8-12)18-2)16-9-15(19-3)6-7-20-10-15/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3
InChIKeyAUGVOPMNIZPPMX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.86
Rot. Bonds6

About 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol

2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol (PubChem CID 104759790) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
PubChem CID104759790
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCC2(OC)CCOC2)ccc1O
InChIInChI=1S/C15H23NO4/c1-11(12-4-5-13(17)14(8-12)18-2)16-9-15(19-3)6-7-20-10-15/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3
InChIKeyAUGVOPMNIZPPMX-UHFFFAOYSA-N
XLogP1.86
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 104759725
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 107715417
2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol
CID 80726953
1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104705857
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
CID 82986575
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol (CID 104759790) is 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol is COc1cc(C(C)NCC2(OC)CCOC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
The InChIKey is AUGVOPMNIZPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(12-4-5-13(17)14(8-12)18-2)16-9-15(19-3)6-7-20-10-15/h4-5,8,11,16-17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol has a molecular weight of 281.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 104759790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).