1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol

C15H23NO2 — CID 65150488

IUPAC1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
SMILESCN(C)c1ccc(C(O)CC2CCOCC2)cc1
InChIInChI=1S/C15H23NO2/c1-16(2)14-5-3-13(4-6-14)15(17)11-12-7-9-18-10-8-12/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyVTHDTZJNSUYFSQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol

1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol (PubChem CID 65150488) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
PubChem CID65150488
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
SMILESCN(C)c1ccc(C(O)CC2CCOCC2)cc1
InChIInChI=1S/C15H23NO2/c1-16(2)14-5-3-13(4-6-14)15(17)11-12-7-9-18-10-8-12/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyVTHDTZJNSUYFSQ-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-[4-(dimethylamino)phenyl]ethanol
CID 65151167
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789651
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]ethanol
CID 24975028
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
1-(4-cyclopropyloxyphenyl)-2-(oxolan-3-yl)ethanol
CID 114519142
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
4-[(1S)-1-aminoethyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63711877

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol (CID 65150488) is 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol is CN(C)c1ccc(C(O)CC2CCOCC2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol?
The InChIKey is VTHDTZJNSUYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(2)14-5-3-13(4-6-14)15(17)11-12-7-9-18-10-8-12/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol?
1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 65150488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).