N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine

C16H25NO2 — CID 79627900

IUPACN-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCOc1ccc(OCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-12-16(2,3)11-17-13-5-6-13/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeySIRLOKHWVFZYOW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds8

About N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79627900) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79627900
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCOc1ccc(OCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-12-16(2,3)11-17-13-5-6-13/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeySIRLOKHWVFZYOW-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine (CID 79627900) is N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine is CCOc1ccc(OCC(C)(C)CNC2CC2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is SIRLOKHWVFZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-12-16(2,3)11-17-13-5-6-13/h7-10,13,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79627900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).