2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine

C16H25NO2 — CID 66357616

IUPAC2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine
SMILESCCCOc1ccc(OC2CC(N)C2(C)CC)cc1
InChIInChI=1S/C16H25NO2/c1-4-10-18-12-6-8-13(9-7-12)19-15-11-14(17)16(15,3)5-2/h6-9,14-15H,4-5,10-11,17H2,1-3H3
InChIKeyHKNIKZXETWVFDL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds6

About 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine

2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine (PubChem CID 66357616) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine
PubChem CID66357616
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine
SMILESCCCOc1ccc(OC2CC(N)C2(C)CC)cc1
InChIInChI=1S/C16H25NO2/c1-4-10-18-12-6-8-13(9-7-12)19-15-11-14(17)16(15,3)5-2/h6-9,14-15H,4-5,10-11,17H2,1-3H3
InChIKeyHKNIKZXETWVFDL-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66358501
2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine
CID 66356835
2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine
CID 66357108
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
2-ethyl-3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-amine
CID 81416133
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 102715077
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 66352041
2-ethyl-2-methyl-3-(4-propylphenoxy)cyclobutan-1-ol
CID 66343544
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine (CID 66357616) is 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine is CCCOc1ccc(OC2CC(N)C2(C)CC)cc1.
What is the InChIKey of 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The InChIKey is HKNIKZXETWVFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-10-18-12-6-8-13(9-7-12)19-15-11-14(17)16(15,3)5-2/h6-9,14-15H,4-5,10-11,17H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine?
2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66357616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).