3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C15H20FNO2 — CID 106825158

IUPAC3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCOC1CC2(C1)CC(NC)c1ccc(F)cc1O2
InChIInChI=1S/C15H20FNO2/c1-3-18-11-7-15(8-11)9-13(17-2)12-5-4-10(16)6-14(12)19-15/h4-6,11,13,17H,3,7-9H2,1-2H3
InChIKeyLCNLWLWYMGVTJV-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.81
Rot. Bonds3

About 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 106825158) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID106825158
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCOC1CC2(C1)CC(NC)c1ccc(F)cc1O2
InChIInChI=1S/C15H20FNO2/c1-3-18-11-7-15(8-11)9-13(17-2)12-5-4-10(16)6-14(12)19-15/h4-6,11,13,17H,3,7-9H2,1-2H3
InChIKeyLCNLWLWYMGVTJV-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825100
3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713668
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825119
7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
CID 114713714
1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114713633
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439
6-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 79982701
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150

Frequently Asked Questions

What is the IUPAC name of 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 106825158) is 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is CCOC1CC2(C1)CC(NC)c1ccc(F)cc1O2.
What is the InChIKey of 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is LCNLWLWYMGVTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-18-11-7-15(8-11)9-13(17-2)12-5-4-10(16)6-14(12)19-15/h4-6,11,13,17H,3,7-9H2,1-2H3.
What are the key properties of 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 265.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 106825158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).