(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H22FNO — CID 104944135

IUPAC(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1CCCC2(C[C@H](N)c3cc(F)ccc3O2)C1C
InChIInChI=1S/C16H22FNO/c1-10-4-3-7-16(11(10)2)9-14(18)13-8-12(17)5-6-15(13)19-16/h5-6,8,10-11,14H,3-4,7,9,18H2,1-2H3/t10?,11?,14-,16?/m0/s1
InChIKeyJPTFLHKMDRDIDU-XRDQEZKRSA-N
MW263.36 g/mol
LogP3.80
Rot. Bonds

About (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104944135) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104944135
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1CCCC2(C[C@H](N)c3cc(F)ccc3O2)C1C
InChIInChI=1S/C16H22FNO/c1-10-4-3-7-16(11(10)2)9-14(18)13-8-12(17)5-6-15(13)19-16/h5-6,8,10-11,14H,3-4,7,9,18H2,1-2H3/t10?,11?,14-,16?/m0/s1
InChIKeyJPTFLHKMDRDIDU-XRDQEZKRSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946560
(4R)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875145
(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 104944487
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114708697
(4S)-6-fluoro-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875074

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104944135) is (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC1CCCC2(C[C@H](N)c3cc(F)ccc3O2)C1C.
What is the InChIKey of (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is JPTFLHKMDRDIDU-XRDQEZKRSA-N. The full InChI is InChI=1S/C16H22FNO/c1-10-4-3-7-16(11(10)2)9-14(18)13-8-12(17)5-6-15(13)19-16/h5-6,8,10-11,14H,3-4,7,9,18H2,1-2H3/t10?,11?,14-,16?/m0/s1.
What are the key properties of (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104944135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).