2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H23Cl2NO — CID 114339551

IUPAC2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H23Cl2NO/c18-13-7-8-15(19)12(10-13)11-20-9-3-5-16(20)14-4-1-2-6-17(14)21/h7-8,10,14,16-17,21H,1-6,9,11H2
InChIKeyXCBTXSXFQKQJMS-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.51
Rot. Bonds3

About 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339551) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339551
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H23Cl2NO/c18-13-7-8-15(19)12(10-13)11-20-9-3-5-16(20)14-4-1-2-6-17(14)21/h7-8,10,14,16-17,21H,1-6,9,11H2
InChIKeyXCBTXSXFQKQJMS-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339551) is 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is XCBTXSXFQKQJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c18-13-7-8-15(19)12(10-13)11-20-9-3-5-16(20)14-4-1-2-6-17(14)21/h7-8,10,14,16-17,21H,1-6,9,11H2.
What are the key properties of 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 328.28 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).