2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine

C16H25NO3 — CID 104674532

IUPAC2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccc(OC)cc2)C1OC
InChIInChI=1S/C16H25NO3/c1-4-9-17-14-10-15(16(14)19-3)20-11-12-5-7-13(18-2)8-6-12/h5-8,14-17H,4,9-11H2,1-3H3
InChIKeyCETDSSQSKYTOOT-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds8

About 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine

2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine (PubChem CID 104674532) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
PubChem CID104674532
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccc(OC)cc2)C1OC
InChIInChI=1S/C16H25NO3/c1-4-9-17-14-10-15(16(14)19-3)20-11-12-5-7-13(18-2)8-6-12/h5-8,14-17H,4,9-11H2,1-3H3
InChIKeyCETDSSQSKYTOOT-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine (CID 104674532) is 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine is CCCNC1CC(OCc2ccc(OC)cc2)C1OC.
What is the InChIKey of 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine?
The InChIKey is CETDSSQSKYTOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-9-17-14-10-15(16(14)19-3)20-11-12-5-7-13(18-2)8-6-12/h5-8,14-17H,4,9-11H2,1-3H3.
What are the key properties of 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine?
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).