2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol

C14H21NO3 — CID 61050567

IUPAC2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESCOc1ccc(C(CO)NCC2CCCO2)cc1
InChIInChI=1S/C14H21NO3/c1-17-12-6-4-11(5-7-12)14(10-16)15-9-13-3-2-8-18-13/h4-7,13-16H,2-3,8-10H2,1H3
InChIKeyKKPJCCUIGTZETN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol

2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 61050567) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID61050567
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESCOc1ccc(C(CO)NCC2CCCO2)cc1
InChIInChI=1S/C14H21NO3/c1-17-12-6-4-11(5-7-12)14(10-16)15-9-13-3-2-8-18-13/h4-7,13-16H,2-3,8-10H2,1H3
InChIKeyKKPJCCUIGTZETN-UHFFFAOYSA-N
XLogP1.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
[1-(4-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267425
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
2-cyclopentyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110407933
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol (CID 61050567) is 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol is COc1ccc(C(CO)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is KKPJCCUIGTZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-12-6-4-11(5-7-12)14(10-16)15-9-13-3-2-8-18-13/h4-7,13-16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 61050567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).