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

C16H23NO3 — CID 106825100

IUPAC3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCOC1CC2(C1)CC(NC)c1ccc(OC)cc1O2
InChIInChI=1S/C16H23NO3/c1-4-19-12-8-16(9-12)10-14(17-2)13-6-5-11(18-3)7-15(13)20-16/h5-7,12,14,17H,4,8-10H2,1-3H3
InChIKeyGHATVSVLQRKKIB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.68
Rot. Bonds4

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

3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 106825100) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID106825100
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCOC1CC2(C1)CC(NC)c1ccc(OC)cc1O2
InChIInChI=1S/C16H23NO3/c1-4-19-12-8-16(9-12)10-14(17-2)13-6-5-11(18-3)7-15(13)20-16/h5-7,12,14,17H,4,8-10H2,1-3H3
InChIKeyGHATVSVLQRKKIB-UHFFFAOYSA-N
XLogP2.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825158
7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114710871
7-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114710932
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114710926
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710834
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825119
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
2-(cyclobutylmethyl)-7-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114710888
7-methoxy-N,2'-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710927
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079

Frequently Asked Questions

What is the IUPAC name of 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 106825100) is 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is CCOC1CC2(C1)CC(NC)c1ccc(OC)cc1O2.
What is the InChIKey of 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is GHATVSVLQRKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-19-12-8-16(9-12)10-14(17-2)13-6-5-11(18-3)7-15(13)20-16/h5-7,12,14,17H,4,8-10H2,1-3H3.
What are the key properties of 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 277.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 106825100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).