6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

C23H25FN2O — CID 24798598

IUPAC6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12
InChIInChI=1S/C23H25FN2O/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21/h2-8,15,25-26H,9-14H2,1H3
InChIKeyAMXGKMSRYLZAEO-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.76
Rot. Bonds2

About 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine (PubChem CID 24798598) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
PubChem CID24798598
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12
InChIInChI=1S/C23H25FN2O/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21/h2-8,15,25-26H,9-14H2,1H3
InChIKeyAMXGKMSRYLZAEO-UHFFFAOYSA-N
XLogP4.76
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The IUPAC name of 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine (CID 24798598) is 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine.
What is the SMILES notation for 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The canonical SMILES for 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine is CNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The InChIKey is AMXGKMSRYLZAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21/h2-8,15,25-26H,9-14H2,1H3.
What are the key properties of 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine has a molecular weight of 364.46 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 24798598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).