2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol

C17H27NO2 — CID 82749510

IUPAC2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN(C)C2CCOC2C)c(C)c1
InChIInChI=1S/C17H27NO2/c1-11-8-12(2)17(13(3)9-11)16(19)10-18(5)15-6-7-20-14(15)4/h8-9,14-16,19H,6-7,10H2,1-5H3
InChIKeyYDHMFJOBIGWBBH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.75
Rot. Bonds4

About 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol

2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 82749510) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID82749510
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN(C)C2CCOC2C)c(C)c1
InChIInChI=1S/C17H27NO2/c1-11-8-12(2)17(13(3)9-11)16(19)10-18(5)15-6-7-20-14(15)4/h8-9,14-16,19H,6-7,10H2,1-5H3
InChIKeyYDHMFJOBIGWBBH-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol (CID 82749510) is 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CN(C)C2CCOC2C)c(C)c1.
What is the InChIKey of 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is YDHMFJOBIGWBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-8-12(2)17(13(3)9-11)16(19)10-18(5)15-6-7-20-14(15)4/h8-9,14-16,19H,6-7,10H2,1-5H3.
What are the key properties of 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 82749510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).