1-[3-(methoxymethyl)phenoxy]pentan-2-amine

C13H21NO2 — CID 63984772

IUPAC1-[3-(methoxymethyl)phenoxy]pentan-2-amine
SMILESCCCC(N)COc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-3-5-12(14)10-16-13-7-4-6-11(8-13)9-15-2/h4,6-8,12H,3,5,9-10,14H2,1-2H3
InChIKeyLJBPEJMTGMOVOF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds7

About 1-[3-(methoxymethyl)phenoxy]pentan-2-amine

1-[3-(methoxymethyl)phenoxy]pentan-2-amine (PubChem CID 63984772) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenoxy]pentan-2-amine
PubChem CID63984772
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[3-(methoxymethyl)phenoxy]pentan-2-amine
SMILESCCCC(N)COc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-3-5-12(14)10-16-13-7-4-6-11(8-13)9-15-2/h4,6-8,12H,3,5,9-10,14H2,1-2H3
InChIKeyLJBPEJMTGMOVOF-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
CID 63986560
1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
CID 63986563
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol
CID 64811194
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenoxy]pentan-2-amine?
The IUPAC name of 1-[3-(methoxymethyl)phenoxy]pentan-2-amine (CID 63984772) is 1-[3-(methoxymethyl)phenoxy]pentan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenoxy]pentan-2-amine?
The canonical SMILES for 1-[3-(methoxymethyl)phenoxy]pentan-2-amine is CCCC(N)COc1cccc(COC)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenoxy]pentan-2-amine?
The InChIKey is LJBPEJMTGMOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-12(14)10-16-13-7-4-6-11(8-13)9-15-2/h4,6-8,12H,3,5,9-10,14H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)phenoxy]pentan-2-amine?
1-[3-(methoxymethyl)phenoxy]pentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 63984772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).