2-[1-(dimethylamino)cyclopentyl]phenol

C13H19NO — CID 115024209

IUPAC2-[1-(dimethylamino)cyclopentyl]phenol
SMILESCN(C)C1(c2ccccc2O)CCCC1
InChIInChI=1S/C13H19NO/c1-14(2)13(9-5-6-10-13)11-7-3-4-8-12(11)15/h3-4,7-8,15H,5-6,9-10H2,1-2H3
InChIKeyHHQGDOXBULITEI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.72
Rot. Bonds2

About 2-[1-(dimethylamino)cyclopentyl]phenol

2-[1-(dimethylamino)cyclopentyl]phenol (PubChem CID 115024209) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[1-(dimethylamino)cyclopentyl]phenol.

Molecular Properties

Compound Name2-[1-(dimethylamino)cyclopentyl]phenol
PubChem CID115024209
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[1-(dimethylamino)cyclopentyl]phenol
SMILESCN(C)C1(c2ccccc2O)CCCC1
InChIInChI=1S/C13H19NO/c1-14(2)13(9-5-6-10-13)11-7-3-4-8-12(11)15/h3-4,7-8,15H,5-6,9-10H2,1-2H3
InChIKeyHHQGDOXBULITEI-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)cyclopentyl]phenol?
The IUPAC name of 2-[1-(dimethylamino)cyclopentyl]phenol (CID 115024209) is 2-[1-(dimethylamino)cyclopentyl]phenol.
What is the SMILES notation for 2-[1-(dimethylamino)cyclopentyl]phenol?
The canonical SMILES for 2-[1-(dimethylamino)cyclopentyl]phenol is CN(C)C1(c2ccccc2O)CCCC1.
What is the InChIKey of 2-[1-(dimethylamino)cyclopentyl]phenol?
The InChIKey is HHQGDOXBULITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14(2)13(9-5-6-10-13)11-7-3-4-8-12(11)15/h3-4,7-8,15H,5-6,9-10H2,1-2H3.
What are the key properties of 2-[1-(dimethylamino)cyclopentyl]phenol?
2-[1-(dimethylamino)cyclopentyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)cyclopentyl]phenol is sourced from PubChem (CID 115024209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).