spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine

C17H17NO — CID 114709400

IUPACspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
SMILESNC1CC2(Cc3ccccc3C2)Oc2ccccc21
InChIInChI=1S/C17H17NO/c18-15-11-17(19-16-8-4-3-7-14(15)16)9-12-5-1-2-6-13(12)10-17/h1-8,15H,9-11,18H2
InChIKeyTWZZEMUSFMOTEP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.01
Rot. Bonds

About spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine

spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine (PubChem CID 114709400) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine.

Molecular Properties

Compound Namespiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
PubChem CID114709400
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Namespiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
SMILESNC1CC2(Cc3ccccc3C2)Oc2ccccc21
InChIInChI=1S/C17H17NO/c18-15-11-17(19-16-8-4-3-7-14(15)16)9-12-5-1-2-6-13(12)10-17/h1-8,15H,9-11,18H2
InChIKeyTWZZEMUSFMOTEP-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709631
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946242
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709557
4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709541

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
The IUPAC name of spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine (CID 114709400) is spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine.
What is the SMILES notation for spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
The canonical SMILES for spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine is NC1CC2(Cc3ccccc3C2)Oc2ccccc21.
What is the InChIKey of spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
The InChIKey is TWZZEMUSFMOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c18-15-11-17(19-16-8-4-3-7-14(15)16)9-12-5-1-2-6-13(12)10-17/h1-8,15H,9-11,18H2.
What are the key properties of spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine has a molecular weight of 251.33 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine is sourced from PubChem (CID 114709400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).