1-(dimethylamino)-3-phenylpentan-3-ol

C13H21NO — CID 25662

IUPAC1-(dimethylamino)-3-phenylpentan-3-ol
SMILESCCC(O)(CCN(C)C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-13(15,10-11-14(2)3)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeySNVUWIFPJAVATJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.24
Rot. Bonds5

About 1-(dimethylamino)-3-phenylpentan-3-ol

1-(dimethylamino)-3-phenylpentan-3-ol (PubChem CID 25662) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(dimethylamino)-3-phenylpentan-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-phenylpentan-3-ol
PubChem CID25662
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(dimethylamino)-3-phenylpentan-3-ol
SMILESCCC(O)(CCN(C)C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-13(15,10-11-14(2)3)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeySNVUWIFPJAVATJ-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-phenylpentan-3-ol?
The IUPAC name of 1-(dimethylamino)-3-phenylpentan-3-ol (CID 25662) is 1-(dimethylamino)-3-phenylpentan-3-ol.
What is the SMILES notation for 1-(dimethylamino)-3-phenylpentan-3-ol?
The canonical SMILES for 1-(dimethylamino)-3-phenylpentan-3-ol is CCC(O)(CCN(C)C)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-3-phenylpentan-3-ol?
The InChIKey is SNVUWIFPJAVATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(15,10-11-14(2)3)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-phenylpentan-3-ol?
1-(dimethylamino)-3-phenylpentan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-phenylpentan-3-ol is sourced from PubChem (CID 25662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).