(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C16H23FN2O — CID 104947683

IUPAC(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCC(C)N1CCC2(CC1)C[C@H](N)c1ccc(F)cc1O2
InChIInChI=1S/C16H23FN2O/c1-11(2)19-7-5-16(6-8-19)10-14(18)13-4-3-12(17)9-15(13)20-16/h3-4,9,11,14H,5-8,10,18H2,1-2H3/t14-/m0/s1
InChIKeyKMCJWCLGRFZSFE-AWEZNQCLSA-N
MW278.37 g/mol
LogP2.85
Rot. Bonds1

About (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 104947683) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID104947683
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCC(C)N1CCC2(CC1)C[C@H](N)c1ccc(F)cc1O2
InChIInChI=1S/C16H23FN2O/c1-11(2)19-7-5-16(6-8-19)10-14(18)13-4-3-12(17)9-15(13)20-16/h3-4,9,11,14H,5-8,10,18H2,1-2H3/t14-/m0/s1
InChIKeyKMCJWCLGRFZSFE-AWEZNQCLSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947698
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
(4S)-7-fluoro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947626
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710301
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104947934
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948042
(4R)-7-fluoro-3'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875207
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 104947683) is (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is CC(C)N1CCC2(CC1)C[C@H](N)c1ccc(F)cc1O2.
What is the InChIKey of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is KMCJWCLGRFZSFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(2)19-7-5-16(6-8-19)10-14(18)13-4-3-12(17)9-15(13)20-16/h3-4,9,11,14H,5-8,10,18H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 278.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 104947683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).