N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C16H24N2O2 — CID 114711027

IUPACN-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCCNC1CC2(CCN(C)C2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H24N2O2/c1-4-17-14-10-16(7-8-18(2)11-16)20-15-9-12(19-3)5-6-13(14)15/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyYTACAOKHLJQGLU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.20
Rot. Bonds3

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

N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 114711027) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID114711027
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCCNC1CC2(CCN(C)C2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H24N2O2/c1-4-17-14-10-16(7-8-18(2)11-16)20-15-9-12(19-3)5-6-13(14)15/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyYTACAOKHLJQGLU-UHFFFAOYSA-N
XLogP2.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114710926
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114711803
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114712286
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710834
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
CID 114710996
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
(4S)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 114711027) is N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is CCNC1CC2(CCN(C)C2)Oc2cc(OC)ccc21.
What is the InChIKey of N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is YTACAOKHLJQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-14-10-16(7-8-18(2)11-16)20-15-9-12(19-3)5-6-13(14)15/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 114711027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).