3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C16H25NO2 — CID 81418351

IUPAC3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO2/c1-6-16(2)13(10-15(16)17-3)12-8-7-11(18-4)9-14(12)19-5/h7-9,13,15,17H,6,10H2,1-5H3
InChIKeyFTSLJJRYFXWREG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 81418351) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID81418351
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO2/c1-6-16(2)13(10-15(16)17-3)12-8-7-11(18-4)9-14(12)19-5/h7-9,13,15,17H,6,10H2,1-5H3
InChIKeyFTSLJJRYFXWREG-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 81418351) is 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1c1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is FTSLJJRYFXWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-16(2)13(10-15(16)17-3)12-8-7-11(18-4)9-14(12)19-5/h7-9,13,15,17H,6,10H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81418351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).