3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine

C17H27NO2 — CID 81417833

IUPAC3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(OC)ccc2OC)C1(C)C
InChIInChI=1S/C17H27NO2/c1-6-9-18-16-11-14(17(16,2)3)13-10-12(19-4)7-8-15(13)20-5/h7-8,10,14,16,18H,6,9,11H2,1-5H3
InChIKeyUPXJJXHQTCMOQH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 81417833) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID81417833
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(OC)ccc2OC)C1(C)C
InChIInChI=1S/C17H27NO2/c1-6-9-18-16-11-14(17(16,2)3)13-10-12(19-4)7-8-15(13)20-5/h7-8,10,14,16,18H,6,9,11H2,1-5H3
InChIKeyUPXJJXHQTCMOQH-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 81417833) is 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2cc(OC)ccc2OC)C1(C)C.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is UPXJJXHQTCMOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-9-18-16-11-14(17(16,2)3)13-10-12(19-4)7-8-15(13)20-5/h7-8,10,14,16,18H,6,9,11H2,1-5H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81417833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).