2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine

C16H21Cl2N — CID 58954890

IUPAC2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine
SMILESClc1ccc(C2(C3CCCN3)CCCCC2)cc1Cl
InChIInChI=1S/C16H21Cl2N/c17-13-7-6-12(11-14(13)18)16(8-2-1-3-9-16)15-5-4-10-19-15/h6-7,11,15,19H,1-5,8-10H2
InChIKeyLQJSAWJCKIABDN-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.95
Rot. Bonds2

About 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine

2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine (PubChem CID 58954890) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine
PubChem CID58954890
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC Name2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine
SMILESClc1ccc(C2(C3CCCN3)CCCCC2)cc1Cl
InChIInChI=1S/C16H21Cl2N/c17-13-7-6-12(11-14(13)18)16(8-2-1-3-9-16)15-5-4-10-19-15/h6-7,11,15,19H,1-5,8-10H2
InChIKeyLQJSAWJCKIABDN-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine (CID 58954890) is 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine is Clc1ccc(C2(C3CCCN3)CCCCC2)cc1Cl.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine?
The InChIKey is LQJSAWJCKIABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c17-13-7-6-12(11-14(13)18)16(8-2-1-3-9-16)15-5-4-10-19-15/h6-7,11,15,19H,1-5,8-10H2.
What are the key properties of 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine?
2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine has a molecular weight of 298.26 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)cyclohexyl]pyrrolidine is sourced from PubChem (CID 58954890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).