3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

C17H27NO2 — CID 66352890

IUPAC3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(OCC)c2)C1(C)C
InChIInChI=1S/C17H27NO2/c1-5-10-18-15-12-16(17(15,3)4)20-14-9-7-8-13(11-14)19-6-2/h7-9,11,15-16,18H,5-6,10,12H2,1-4H3
InChIKeyQBQZFXZPFDENEG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.63
Rot. Bonds7

About 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 66352890) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID66352890
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(OCC)c2)C1(C)C
InChIInChI=1S/C17H27NO2/c1-5-10-18-15-12-16(17(15,3)4)20-14-9-7-8-13(11-14)19-6-2/h7-9,11,15-16,18H,5-6,10,12H2,1-4H3
InChIKeyQBQZFXZPFDENEG-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358217
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
CID 66357441
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
2,2-dimethyl-N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046085
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66358081
3-(3-ethoxyphenoxy)-N-ethylcyclopentan-1-amine
CID 79632753

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 66352890) is 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cccc(OCC)c2)C1(C)C.
What is the InChIKey of 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is QBQZFXZPFDENEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-10-18-15-12-16(17(15,3)4)20-14-9-7-8-13(11-14)19-6-2/h7-9,11,15-16,18H,5-6,10,12H2,1-4H3.
What are the key properties of 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66352890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).