6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine

C24H30FN3 — CID 142894027

IUPAC6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine
SMILESCNC.Fc1ccc2[nH]c3c(c2c1)CCNC31CCC(c2ccccc2)CC1
InChIInChI=1S/C22H23FN2.C2H7N/c23-17-6-7-20-19(14-17)18-10-13-24-22(21(18)25-20)11-8-16(9-12-22)15-4-2-1-3-5-15;1-3-2/h1-7,14,16,24-25H,8-13H2;3H,1-2H3
InChIKeyMEDFYZSJASHWCO-UHFFFAOYSA-N
MW379.52 g/mol
LogP4.84
Rot. Bonds1

About 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine

6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine (PubChem CID 142894027) has the molecular formula C24H30FN3 and a molecular weight of 379.52 g/mol. Its IUPAC name is 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine.

Molecular Properties

Compound Name6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine
PubChem CID142894027
Molecular FormulaC24H30FN3
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Name6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine
SMILESCNC.Fc1ccc2[nH]c3c(c2c1)CCNC31CCC(c2ccccc2)CC1
InChIInChI=1S/C22H23FN2.C2H7N/c23-17-6-7-20-19(14-17)18-10-13-24-22(21(18)25-20)11-8-16(9-12-22)15-4-2-1-3-5-15;1-3-2/h1-7,14,16,24-25H,8-13H2;3H,1-2H3
InChIKeyMEDFYZSJASHWCO-UHFFFAOYSA-N
XLogP4.84
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine?
The IUPAC name of 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine (CID 142894027) is 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine.
What is the SMILES notation for 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine?
The canonical SMILES for 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine is CNC.Fc1ccc2[nH]c3c(c2c1)CCNC31CCC(c2ccccc2)CC1.
What is the InChIKey of 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine?
The InChIKey is MEDFYZSJASHWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2.C2H7N/c23-17-6-7-20-19(14-17)18-10-13-24-22(21(18)25-20)11-8-16(9-12-22)15-4-2-1-3-5-15;1-3-2/h1-7,14,16,24-25H,8-13H2;3H,1-2H3.
What are the key properties of 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine?
6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine has a molecular weight of 379.52 g/mol, XLogP of 4.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];N-methylmethanamine is sourced from PubChem (CID 142894027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).