2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

C14H21NO3 — CID 54977200

IUPAC2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCC2CCOC2)c1
InChIInChI=1S/C14H21NO3/c1-16-13-3-2-12(4-6-15)14(8-13)18-10-11-5-7-17-9-11/h2-3,8,11H,4-7,9-10,15H2,1H3
InChIKeyDWCRYEDBSIUTIB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.61
Rot. Bonds6

About 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (PubChem CID 54977200) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
PubChem CID54977200
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCC2CCOC2)c1
InChIInChI=1S/C14H21NO3/c1-16-13-3-2-12(4-6-15)14(8-13)18-10-11-5-7-17-9-11/h2-3,8,11H,4-7,9-10,15H2,1H3
InChIKeyDWCRYEDBSIUTIB-UHFFFAOYSA-N
XLogP1.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]oxolane
CID 54976947
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
3-[5-methoxy-2-(oxolan-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706960
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62385101
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine
CID 66394870
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (CID 54977200) is 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is COc1ccc(CCN)c(OCC2CCOC2)c1.
What is the InChIKey of 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is DWCRYEDBSIUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-13-3-2-12(4-6-15)14(8-13)18-10-11-5-7-17-9-11/h2-3,8,11H,4-7,9-10,15H2,1H3.
What are the key properties of 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 54977200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).