(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine

C14H19NO2 — CID 104946649

IUPAC(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC1(CCCOC1)O2
InChIInChI=1S/C14H19NO2/c1-10-3-4-13-11(7-10)12(15)8-14(17-13)5-2-6-16-9-14/h3-4,7,12H,2,5-6,8-9,15H2,1H3/t12-,14?/m1/s1
InChIKeyDNLKMOIOJNBSEG-PUODRLBUSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds

About (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine

(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine (PubChem CID 104946649) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine.

Molecular Properties

Compound Name(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
PubChem CID104946649
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC1(CCCOC1)O2
InChIInChI=1S/C14H19NO2/c1-10-3-4-13-11(7-10)12(15)8-14(17-13)5-2-6-16-9-14/h3-4,7,12H,2,5-6,8-9,15H2,1H3/t12-,14?/m1/s1
InChIKeyDNLKMOIOJNBSEG-PUODRLBUSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946481
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709631
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
CID 114708531
(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946467
(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104946445
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946423
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946560

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine?
The IUPAC name of (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine (CID 104946649) is (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine.
What is the SMILES notation for (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine?
The canonical SMILES for (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine is Cc1ccc2c(c1)[C@H](N)CC1(CCCOC1)O2.
What is the InChIKey of (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine?
The InChIKey is DNLKMOIOJNBSEG-PUODRLBUSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-13-11(7-10)12(15)8-14(17-13)5-2-6-16-9-14/h3-4,7,12H,2,5-6,8-9,15H2,1H3/t12-,14?/m1/s1.
What are the key properties of (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine?
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine is sourced from PubChem (CID 104946649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).