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

C13H21NO2 — CID 63984771

IUPAC2-[3-(methoxymethyl)phenoxy]pentan-3-amine
SMILESCCC(N)C(C)Oc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-4-13(14)10(2)16-12-7-5-6-11(8-12)9-15-3/h5-8,10,13H,4,9,14H2,1-3H3
InChIKeyFTWHSRIHTYATHE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds6

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

2-[3-(methoxymethyl)phenoxy]pentan-3-amine (PubChem CID 63984771) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]pentan-3-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]pentan-3-amine
PubChem CID63984771
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[3-(methoxymethyl)phenoxy]pentan-3-amine
SMILESCCC(N)C(C)Oc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-4-13(14)10(2)16-12-7-5-6-11(8-12)9-15-3/h5-8,10,13H,4,9,14H2,1-3H3
InChIKeyFTWHSRIHTYATHE-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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]butan-2-amine
CID 63985757
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
2-[3-(methoxymethyl)phenoxy]-N-methyl-1-phenylpropan-1-amine
CID 63984967
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
CID 63985747
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
3-[3-(methoxymethyl)phenoxy]heptan-4-ol
CID 63984608
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]pentan-3-amine?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]pentan-3-amine (CID 63984771) is 2-[3-(methoxymethyl)phenoxy]pentan-3-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]pentan-3-amine?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]pentan-3-amine is CCC(N)C(C)Oc1cccc(COC)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]pentan-3-amine?
The InChIKey is FTWHSRIHTYATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(14)10(2)16-12-7-5-6-11(8-12)9-15-3/h5-8,10,13H,4,9,14H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]pentan-3-amine?
2-[3-(methoxymethyl)phenoxy]pentan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.34, 6 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-3-amine is sourced from PubChem (CID 63984771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).