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

C17H25NO3 — CID 114711043

IUPACN-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCNC1CC2(CCOC(C)C2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H25NO3/c1-4-18-15-11-17(7-8-20-12(2)10-17)21-16-9-13(19-3)5-6-14(15)16/h5-6,9,12,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyWRKFDSIXXGUXBP-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.07
Rot. Bonds3

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

N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114711043) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114711043
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCNC1CC2(CCOC(C)C2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H25NO3/c1-4-18-15-11-17(7-8-20-12(2)10-17)21-16-9-13(19-3)5-6-14(15)16/h5-6,9,12,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyWRKFDSIXXGUXBP-UHFFFAOYSA-N
XLogP3.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114711027
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
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
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694
7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114710871
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114711066
(4R)-7-methoxy-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104948592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114711043) is N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CCNC1CC2(CCOC(C)C2)Oc2cc(OC)ccc21.
What is the InChIKey of N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is WRKFDSIXXGUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-18-15-11-17(7-8-20-12(2)10-17)21-16-9-13(19-3)5-6-14(15)16/h5-6,9,12,15,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 291.39 g/mol, XLogP of 3.07, 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-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114711043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).