(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol

C15H25NO — CID 97294292

IUPAC(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol
SMILESCCC[C@@](C)(O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-12-15(4,17)13-8-10-14(11-9-13)16(6-2)7-3/h8-11,17H,5-7,12H2,1-4H3/t15-/m1/s1
InChIKeyZXGRPICXYCUPNH-OAHLLOKOSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds6

About (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol

(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol (PubChem CID 97294292) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol.

Molecular Properties

Compound Name(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol
PubChem CID97294292
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol
SMILESCCC[C@@](C)(O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-12-15(4,17)13-8-10-14(11-9-13)16(6-2)7-3/h8-11,17H,5-7,12H2,1-4H3/t15-/m1/s1
InChIKeyZXGRPICXYCUPNH-OAHLLOKOSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol?
The IUPAC name of (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol (CID 97294292) is (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol.
What is the SMILES notation for (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol?
The canonical SMILES for (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol is CCC[C@@](C)(O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol?
The InChIKey is ZXGRPICXYCUPNH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12-15(4,17)13-8-10-14(11-9-13)16(6-2)7-3/h8-11,17H,5-7,12H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol?
(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(diethylamino)phenyl]pentan-2-ol is sourced from PubChem (CID 97294292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).