1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole

C21H27N — CID 146160786

IUPAC1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole
SMILESc1ccc(-c2cc3c(n2CC2CCCCC2)CCCC3)cc1
InChIInChI=1S/C21H27N/c1-3-9-17(10-4-1)16-22-20-14-8-7-13-19(20)15-21(22)18-11-5-2-6-12-18/h2,5-6,11-12,15,17H,1,3-4,7-10,13-14,16H2
InChIKeyGZDHRPGMBZCNHU-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.61
Rot. Bonds3

About 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole

1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole (PubChem CID 146160786) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole
PubChem CID146160786
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole
SMILESc1ccc(-c2cc3c(n2CC2CCCCC2)CCCC3)cc1
InChIInChI=1S/C21H27N/c1-3-9-17(10-4-1)16-22-20-14-8-7-13-19(20)15-21(22)18-11-5-2-6-12-18/h2,5-6,11-12,15,17H,1,3-4,7-10,13-14,16H2
InChIKeyGZDHRPGMBZCNHU-UHFFFAOYSA-N
XLogP5.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole?
The IUPAC name of 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole (CID 146160786) is 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole is c1ccc(-c2cc3c(n2CC2CCCCC2)CCCC3)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole?
The InChIKey is GZDHRPGMBZCNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-3-9-17(10-4-1)16-22-20-14-8-7-13-19(20)15-21(22)18-11-5-2-6-12-18/h2,5-6,11-12,15,17H,1,3-4,7-10,13-14,16H2.
What are the key properties of 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole?
1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole has a molecular weight of 293.45 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 146160786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).