3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C18H27NO2 — CID 106825138

IUPAC3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCCNC1CC2(CC(OCC)C2)Oc2ccc(C)cc21
InChIInChI=1S/C18H27NO2/c1-4-8-19-16-12-18(10-14(11-18)20-5-2)21-17-7-6-13(3)9-15(16)17/h6-7,9,14,16,19H,4-5,8,10-12H2,1-3H3
InChIKeyKFWFRXRPWIIXNT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.76
Rot. Bonds5

About 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 106825138) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID106825138
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCCNC1CC2(CC(OCC)C2)Oc2ccc(C)cc21
InChIInChI=1S/C18H27NO2/c1-4-8-19-16-12-18(10-14(11-18)20-5-2)21-17-7-6-13(3)9-15(16)17/h6-7,9,14,16,19H,4-5,8,10-12H2,1-3H3
InChIKeyKFWFRXRPWIIXNT-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712823
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825119
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701

Frequently Asked Questions

What is the IUPAC name of 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 106825138) is 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is CCCNC1CC2(CC(OCC)C2)Oc2ccc(C)cc21.
What is the InChIKey of 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is KFWFRXRPWIIXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-8-19-16-12-18(10-14(11-18)20-5-2)21-17-7-6-13(3)9-15(16)17/h6-7,9,14,16,19H,4-5,8,10-12H2,1-3H3.
What are the key properties of 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 106825138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).