7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C16H23NO2 — CID 114710871

IUPAC7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CCC(C)C2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H23NO2/c1-11-6-7-16(9-11)10-14(17-2)13-5-4-12(18-3)8-15(13)19-16/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyFHQQGXCOWWGTGV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.30
Rot. Bonds2

About 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114710871) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114710871
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CCC(C)C2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H23NO2/c1-11-6-7-16(9-11)10-14(17-2)13-5-4-12(18-3)8-15(13)19-16/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyFHQQGXCOWWGTGV-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114710926
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710834
3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825100
(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827
7-methoxy-N,2'-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710927
7-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114710932
2-(cyclobutylmethyl)-7-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114710888
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
(4S)-7-methoxy-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948842
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114710871) is 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CNC1CC2(CCC(C)C2)Oc2cc(OC)ccc21.
What is the InChIKey of 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is FHQQGXCOWWGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-7-16(9-11)10-14(17-2)13-5-4-12(18-3)8-15(13)19-16/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 114710871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).