6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

C16H23NO3 — CID 114713119

IUPAC6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCCNC1CC2(CCOC2)Oc2ccc(OC)cc21
InChIInChI=1S/C16H23NO3/c1-3-7-17-14-10-16(6-8-19-11-16)20-15-5-4-12(18-2)9-13(14)15/h4-5,9,14,17H,3,6-8,10-11H2,1-2H3
InChIKeyYCVGMMUFRRBXOJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.68
Rot. Bonds4

About 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (PubChem CID 114713119) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.

Molecular Properties

Compound Name6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
PubChem CID114713119
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCCNC1CC2(CCOC2)Oc2ccc(OC)cc21
InChIInChI=1S/C16H23NO3/c1-3-7-17-14-10-16(6-8-19-11-16)20-15-5-4-12(18-2)9-13(14)15/h4-5,9,14,17H,3,6-8,10-11H2,1-2H3
InChIKeyYCVGMMUFRRBXOJ-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

6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711474
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114711066
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The IUPAC name of 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (CID 114713119) is 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.
What is the SMILES notation for 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The canonical SMILES for 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is CCCNC1CC2(CCOC2)Oc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The InChIKey is YCVGMMUFRRBXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-7-17-14-10-16(6-8-19-11-16)20-15-5-4-12(18-2)9-13(14)15/h4-5,9,14,17H,3,6-8,10-11H2,1-2H3.
What are the key properties of 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-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 6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is sourced from PubChem (CID 114713119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).