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

C24H28FN3 — CID 11956794

IUPAC6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12
InChIInChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3
InChIKeyJBRPRZXCKRICQC-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.68
Rot. Bonds2

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

6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine (PubChem CID 11956794) has the molecular formula C24H28FN3 and a molecular weight of 377.51 g/mol. Its IUPAC name is 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound Name6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine
PubChem CID11956794
Molecular FormulaC24H28FN3
Molecular Weight377.51 g/mol
Exact Mass377.23
IUPAC Name6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12
InChIInChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3
InChIKeyJBRPRZXCKRICQC-UHFFFAOYSA-N
XLogP4.68
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The IUPAC name of 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine (CID 11956794) is 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine.
What is the SMILES notation for 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The canonical SMILES for 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine is CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The InChIKey is JBRPRZXCKRICQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3.
What are the key properties of 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine has a molecular weight of 377.51 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 11956794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).