N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine

C16H25NO2 — CID 107943243

IUPACN-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1ccccc1C
InChIInChI=1S/C16H25NO2/c1-4-10-18-16-13(17-5-2)11-15(16)19-14-9-7-6-8-12(14)3/h6-9,13,15-17H,4-5,10-11H2,1-3H3
InChIKeyVBKQUMKPYRWBJZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds7

About N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine

N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943243) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943243
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1ccccc1C
InChIInChI=1S/C16H25NO2/c1-4-10-18-16-13(17-5-2)11-15(16)19-14-9-7-6-8-12(14)3/h6-9,13,15-17H,4-5,10-11H2,1-3H3
InChIKeyVBKQUMKPYRWBJZ-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730
3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943835
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943234
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine
CID 104676361
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
2-ethoxy-3-(2-methylphenoxy)cyclobutan-1-ol
CID 104675291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943243) is N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(NCC)CC1Oc1ccccc1C.
What is the InChIKey of N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is VBKQUMKPYRWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-10-18-16-13(17-5-2)11-15(16)19-14-9-7-6-8-12(14)3/h6-9,13,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine?
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).