N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine

C24H28N2O — CID 11956410

IUPACN,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2oc2ccccc12
InChIInChI=1S/C24H28N2O/c1-26(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)27-22/h3-11,25H,12-17H2,1-2H3
InChIKeyNJFJPSNQMBTDSQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.80
Rot. Bonds2

About N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine

N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine (PubChem CID 11956410) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine
PubChem CID11956410
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2oc2ccccc12
InChIInChI=1S/C24H28N2O/c1-26(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)27-22/h3-11,25H,12-17H2,1-2H3
InChIKeyNJFJPSNQMBTDSQ-UHFFFAOYSA-N
XLogP4.80
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine?
The IUPAC name of N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine (CID 11956410) is N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine?
The canonical SMILES for N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine is CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2oc2ccccc12.
What is the InChIKey of N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine?
The InChIKey is NJFJPSNQMBTDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-26(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)27-22/h3-11,25H,12-17H2,1-2H3.
What are the key properties of N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine?
N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine has a molecular weight of 360.50 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-phenylspiro[3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine-1,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 11956410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).