3-[2-(dimethylamino)phenyl]pentan-3-ol

C13H21NO — CID 91656496

IUPAC3-[2-(dimethylamino)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccccc1N(C)C
InChIInChI=1S/C13H21NO/c1-5-13(15,6-2)11-9-7-8-10-12(11)14(3)4/h7-10,15H,5-6H2,1-4H3
InChIKeyCZZSLWTWSZUKJQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds4

About 3-[2-(dimethylamino)phenyl]pentan-3-ol

3-[2-(dimethylamino)phenyl]pentan-3-ol (PubChem CID 91656496) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)phenyl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)phenyl]pentan-3-ol
PubChem CID91656496
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[2-(dimethylamino)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccccc1N(C)C
InChIInChI=1S/C13H21NO/c1-5-13(15,6-2)11-9-7-8-10-12(11)14(3)4/h7-10,15H,5-6H2,1-4H3
InChIKeyCZZSLWTWSZUKJQ-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)phenyl]pentan-3-ol?
The IUPAC name of 3-[2-(dimethylamino)phenyl]pentan-3-ol (CID 91656496) is 3-[2-(dimethylamino)phenyl]pentan-3-ol.
What is the SMILES notation for 3-[2-(dimethylamino)phenyl]pentan-3-ol?
The canonical SMILES for 3-[2-(dimethylamino)phenyl]pentan-3-ol is CCC(O)(CC)c1ccccc1N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)phenyl]pentan-3-ol?
The InChIKey is CZZSLWTWSZUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(15,6-2)11-9-7-8-10-12(11)14(3)4/h7-10,15H,5-6H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)phenyl]pentan-3-ol?
3-[2-(dimethylamino)phenyl]pentan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)phenyl]pentan-3-ol is sourced from PubChem (CID 91656496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).