N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine

C16H25NO2 — CID 66358548

IUPACN,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(OC)cc2)C1(C)CC
InChIInChI=1S/C16H25NO2/c1-5-16(3)14(17-6-2)11-15(16)19-13-9-7-12(18-4)8-10-13/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyQPCYMGXAPTVXOT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds6

About N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine

N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine (PubChem CID 66358548) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
PubChem CID66358548
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(OC)cc2)C1(C)CC
InChIInChI=1S/C16H25NO2/c1-5-16(3)14(17-6-2)11-15(16)19-13-9-7-12(18-4)8-10-13/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyQPCYMGXAPTVXOT-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine (CID 66358548) is N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine is CCNC1CC(Oc2ccc(OC)cc2)C1(C)CC.
What is the InChIKey of N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine?
The InChIKey is QPCYMGXAPTVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-16(3)14(17-6-2)11-15(16)19-13-9-7-12(18-4)8-10-13/h7-10,14-15,17H,5-6,11H2,1-4H3.
What are the key properties of N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine?
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66358548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).