5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole

C19H26BrN — CID 142175454

IUPAC5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1CCC(C2CCC(c3ccccc3Br)=N2)CC1
InChIInChI=1S/C19H26BrN/c1-13(2)14-7-9-15(10-8-14)18-11-12-19(21-18)16-5-3-4-6-17(16)20/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyXYWUQBONQNSLPL-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.86
Rot. Bonds3

About 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole

5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole (PubChem CID 142175454) has the molecular formula C19H26BrN and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole
PubChem CID142175454
Molecular FormulaC19H26BrN
Molecular Weight348.33 g/mol
Exact Mass347.12
IUPAC Name5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1CCC(C2CCC(c3ccccc3Br)=N2)CC1
InChIInChI=1S/C19H26BrN/c1-13(2)14-7-9-15(10-8-14)18-11-12-19(21-18)16-5-3-4-6-17(16)20/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyXYWUQBONQNSLPL-UHFFFAOYSA-N
XLogP5.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 135002725
(1E)-2-(2-bromophenyl)-1-cyclohexyl-1-azaethene
CID 759356
5-(4-Bromophenyl)-3,4-dihydro-2h-pyrrole
CID 11424611
1-[(2-Bromophenyl)methyl]-3,4-dihydroisoquinoline
CID 86025440
5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole
CID 135067592
5-(2-bromo-4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 57445076
5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915223
5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915229
3-(2-bromophenyl)-N-[1-(4,4-difluorocyclohexyl)ethyl]pentan-2-imine
CID 129202398
5-(2-bromophenyl)-2-[(1E,3E,5E)-4,5-difluorocycloocta-1,3,5-trien-1-yl]-3,4-dihydro-2H-pyrrole
CID 142175410
2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 142175412

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole (CID 142175454) is 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole is CC(C)C1CCC(C2CCC(c3ccccc3Br)=N2)CC1.
What is the InChIKey of 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is XYWUQBONQNSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN/c1-13(2)14-7-9-15(10-8-14)18-11-12-19(21-18)16-5-3-4-6-17(16)20/h3-6,13-15,18H,7-12H2,1-2H3.
What are the key properties of 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole?
5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 348.33 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142175454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).