2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine

C15H23NO4 — CID 60904754

IUPAC2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(OC)c1OCC1CCCO1
InChIInChI=1S/C15H23NO4/c1-17-13-8-11(5-6-16)9-14(18-2)15(13)20-10-12-4-3-7-19-12/h8-9,12H,3-7,10,16H2,1-2H3
InChIKeyHUUUZZATZIKTKJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.76
Rot. Bonds7

About 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine

2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 60904754) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
PubChem CID60904754
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(OC)c1OCC1CCCO1
InChIInChI=1S/C15H23NO4/c1-17-13-8-11(5-6-16)9-14(18-2)15(13)20-10-12-4-3-7-19-12/h8-9,12H,3-7,10,16H2,1-2H3
InChIKeyHUUUZZATZIKTKJ-UHFFFAOYSA-N
XLogP1.76
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43622408
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43622329
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane
CID 113438848
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
3-methoxy-4-(oxolan-2-ylmethoxy)-5-prop-2-enylbenzaldehyde
CID 54849592

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine (CID 60904754) is 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine is COc1cc(CCN)cc(OC)c1OCC1CCCO1.
What is the InChIKey of 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is HUUUZZATZIKTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-13-8-11(5-6-16)9-14(18-2)15(13)20-10-12-4-3-7-19-12/h8-9,12H,3-7,10,16H2,1-2H3.
What are the key properties of 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 281.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 60904754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).