2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol

C14H21NO3 — CID 174699035

IUPAC2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol
SMILESCN(C)CC(O)C1(c2ccccc2)COCCO1
InChIInChI=1S/C14H21NO3/c1-15(2)10-13(16)14(11-17-8-9-18-14)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyBJYATBXDSPTXID-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds4

About 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol

2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol (PubChem CID 174699035) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol
PubChem CID174699035
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol
SMILESCN(C)CC(O)C1(c2ccccc2)COCCO1
InChIInChI=1S/C14H21NO3/c1-15(2)10-13(16)14(11-17-8-9-18-14)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyBJYATBXDSPTXID-UHFFFAOYSA-N
XLogP0.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-phenyl-1,4-dioxane
CID 154111008
2-(4-methylphenyl)-2-phenyl-1,4-dioxane
CID 142902155
(1S)-2-(dimethylamino)-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanol
CID 98161321
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
(3-phenyloxan-3-yl)methanol
CID 168870348
2-(1-chloroethyl)-2-phenyl-1,3-dioxolane
CID 150236654
5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
CID 68649617
1-N,1-N,1-N',1-N'-tetramethyl-2-(2-phenyl-1,3-dioxolan-2-yl)ethene-1,1-diamine
CID 134923479
2-methoxy-1-(4-phenyloxan-4-yl)ethanol
CID 79566371
2-benzyl-1,4-dioxane-2-sulfonic acid
CID 91282898
N-tert-butyl-N-[(R)-phenyl-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
CID 101407281

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol (CID 174699035) is 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol is CN(C)CC(O)C1(c2ccccc2)COCCO1.
What is the InChIKey of 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol?
The InChIKey is BJYATBXDSPTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(2)10-13(16)14(11-17-8-9-18-14)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol?
2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-phenyl-1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 174699035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).