3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol

C13H17Cl2NO — CID 123858531

IUPAC3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)C1
InChIInChI=1S/C13H17Cl2NO/c1-16-8-13(5-4-10(17)7-13)9-2-3-11(14)12(15)6-9/h2-3,6,10,16-17H,4-5,7-8H2,1H3
InChIKeyNVNYFIVYEUBYSH-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.00
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol

3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol (PubChem CID 123858531) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol
PubChem CID123858531
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)C1
InChIInChI=1S/C13H17Cl2NO/c1-16-8-13(5-4-10(17)7-13)9-2-3-11(14)12(15)6-9/h2-3,6,10,16-17H,4-5,7-8H2,1H3
InChIKeyNVNYFIVYEUBYSH-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol (CID 123858531) is 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol is CNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol?
The InChIKey is NVNYFIVYEUBYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-16-8-13(5-4-10(17)7-13)9-2-3-11(14)12(15)6-9/h2-3,6,10,16-17H,4-5,7-8H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol?
3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol has a molecular weight of 274.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 123858531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).