2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine

C16H25NO2 — CID 104676122

IUPAC2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccccc2)C1OCC
InChIInChI=1S/C16H25NO2/c1-3-10-17-14-11-15(16(14)18-4-2)19-12-13-8-6-5-7-9-13/h5-9,14-17H,3-4,10-12H2,1-2H3
InChIKeyMZBWXOFJMOEAPD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.75
Rot. Bonds8

About 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine

2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine (PubChem CID 104676122) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
PubChem CID104676122
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccccc2)C1OCC
InChIInChI=1S/C16H25NO2/c1-3-10-17-14-11-15(16(14)18-4-2)19-12-13-8-6-5-7-9-13/h5-9,14-17H,3-4,10-12H2,1-2H3
InChIKeyMZBWXOFJMOEAPD-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
CID 104676124
2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104676522
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
CID 107943815
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438
3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676536
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine (CID 104676122) is 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OCc2ccccc2)C1OCC.
What is the InChIKey of 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine?
The InChIKey is MZBWXOFJMOEAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-17-14-11-15(16(14)18-4-2)19-12-13-8-6-5-7-9-13/h5-9,14-17H,3-4,10-12H2,1-2H3.
What are the key properties of 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine?
2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104676122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).