7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C16H22BrNO2 — CID 106825119

IUPAC7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCNC1CC2(CC(OCC)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO2/c1-3-18-14-10-16(8-12(9-16)19-4-2)20-15-7-11(17)5-6-13(14)15/h5-7,12,14,18H,3-4,8-10H2,1-2H3
InChIKeyDHTAMQQHVDPCPY-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.82
Rot. Bonds4

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

7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 106825119) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID106825119
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCNC1CC2(CC(OCC)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO2/c1-3-18-14-10-16(8-12(9-16)19-4-2)20-15-7-11(17)5-6-13(14)15/h5-7,12,14,18H,3-4,8-10H2,1-2H3
InChIKeyDHTAMQQHVDPCPY-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
CID 114711787
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114711803
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811
3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825158
6-bromo-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825088
7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
CID 114711775
3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825100
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114711707
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 106825119) is 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is CCNC1CC2(CC(OCC)C2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is DHTAMQQHVDPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-18-14-10-16(8-12(9-16)19-4-2)20-15-7-11(17)5-6-13(14)15/h5-7,12,14,18H,3-4,8-10H2,1-2H3.
What are the key properties of 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 340.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 106825119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).