5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol

C15H25NO2 — CID 64803899

IUPAC5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1ccc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(13(2)10-12)18-9-5-8-15(3,11-17)16-4/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyKQDNCXMCSWDBRH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.43
Rot. Bonds7

About 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol

5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64803899) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64803899
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1ccc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(13(2)10-12)18-9-5-8-15(3,11-17)16-4/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyKQDNCXMCSWDBRH-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 64803488
2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64807692
5-(2,4-dimethylphenoxy)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810447
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
CID 64803684
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
N-[4-[3-(2,4-dimethylphenoxy)propylamino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 20818467
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol (CID 64803899) is 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCOc1ccc(C)cc1C.
What is the InChIKey of 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is KQDNCXMCSWDBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-6-7-14(13(2)10-12)18-9-5-8-15(3,11-17)16-4/h6-7,10,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64803899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).