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

C13H21NO2 — CID 83045465

IUPAC2-[3-(methoxymethyl)phenoxy]pentan-1-amine
SMILESCCCC(CN)Oc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-3-5-13(9-14)16-12-7-4-6-11(8-12)10-15-2/h4,6-8,13H,3,5,9-10,14H2,1-2H3
InChIKeyKXMKEPSZSAXUOH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds7

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

2-[3-(methoxymethyl)phenoxy]pentan-1-amine (PubChem CID 83045465) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]pentan-1-amine
PubChem CID83045465
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[3-(methoxymethyl)phenoxy]pentan-1-amine
SMILESCCCC(CN)Oc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-3-5-13(9-14)16-12-7-4-6-11(8-12)10-15-2/h4,6-8,13H,3,5,9-10,14H2,1-2H3
InChIKeyKXMKEPSZSAXUOH-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

3-[3-(methoxymethyl)phenoxy]heptan-4-ol
CID 63984608
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 63986148
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
CID 139715170
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
CID 83046234
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]pentan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]pentan-1-amine (CID 83045465) is 2-[3-(methoxymethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]pentan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]pentan-1-amine is CCCC(CN)Oc1cccc(COC)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]pentan-1-amine?
The InChIKey is KXMKEPSZSAXUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-13(9-14)16-12-7-4-6-11(8-12)10-15-2/h4,6-8,13H,3,5,9-10,14H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]pentan-1-amine?
2-[3-(methoxymethyl)phenoxy]pentan-1-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 2-[3-(methoxymethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 83045465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).