2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol

C15H23NO — CID 54977603

IUPAC2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(CO)NC2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-11-7-8-12(2)14(9-11)15(10-17)16-13-5-3-4-6-13/h7-9,13,15-17H,3-6,10H2,1-2H3
InChIKeyHTCNMVGQDJXICM-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.87
Rot. Bonds4

About 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol

2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 54977603) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
PubChem CID54977603
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(CO)NC2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-11-7-8-12(2)14(9-11)15(10-17)16-13-5-3-4-6-13/h7-9,13,15-17H,3-6,10H2,1-2H3
InChIKeyHTCNMVGQDJXICM-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol (CID 54977603) is 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(C(CO)NC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is HTCNMVGQDJXICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-8-12(2)14(9-11)15(10-17)16-13-5-3-4-6-13/h7-9,13,15-17H,3-6,10H2,1-2H3.
What are the key properties of 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol?
2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol has a molecular weight of 233.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 54977603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).