3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine

C16H25NO3 — CID 63985564

IUPAC3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Oc1cccc(COC)c1
InChIInChI=1S/C16H25NO3/c1-3-8-17-15-7-9-19-12-16(15)20-14-6-4-5-13(10-14)11-18-2/h4-6,10,15-17H,3,7-9,11-12H2,1-2H3
InChIKeyABYONZXQVWVBQN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds7

About 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine

3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine (PubChem CID 63985564) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine
PubChem CID63985564
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Oc1cccc(COC)c1
InChIInChI=1S/C16H25NO3/c1-3-8-17-15-7-9-19-12-16(15)20-14-6-4-5-13(10-14)11-18-2/h4-6,10,15-17H,3,7-9,11-12H2,1-2H3
InChIKeyABYONZXQVWVBQN-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine (CID 63985564) is 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine is CCCNC1CCOCC1Oc1cccc(COC)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine?
The InChIKey is ABYONZXQVWVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-8-17-15-7-9-19-12-16(15)20-14-6-4-5-13(10-14)11-18-2/h4-6,10,15-17H,3,7-9,11-12H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine?
3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine is sourced from PubChem (CID 63985564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).