2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol

C16H25NO3 — CID 61049777

IUPAC2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(CO)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)20-14-7-5-13(6-8-14)16(11-18)17-10-15-4-3-9-19-15/h5-8,12,15-18H,3-4,9-11H2,1-2H3
InChIKeyGWBLOJCXWCPEBO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds7

About 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol

2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 61049777) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
PubChem CID61049777
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(CO)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)20-14-7-5-13(6-8-14)16(11-18)17-10-15-4-3-9-19-15/h5-8,12,15-18H,3-4,9-11H2,1-2H3
InChIKeyGWBLOJCXWCPEBO-UHFFFAOYSA-N
XLogP2.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
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
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 100558519
[2-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105267564
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65157874
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol (CID 61049777) is 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(CO)NCC2CCCO2)cc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is GWBLOJCXWCPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)20-14-7-5-13(6-8-14)16(11-18)17-10-15-4-3-9-19-15/h5-8,12,15-18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol?
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 61049777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).