2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol

C18H31NO2 — CID 82938199

IUPAC2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCOCCN(CC(O)c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)12-16-6-8-17(9-7-16)18(20)13-19(15(3)4)10-11-21-5/h6-9,14-15,18,20H,10-13H2,1-5H3
InChIKeyMNNRDEZWBFDYDF-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.28
Rot. Bonds9

About 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol

2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 82938199) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID82938199
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCOCCN(CC(O)c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)12-16-6-8-17(9-7-16)18(20)13-19(15(3)4)10-11-21-5/h6-9,14-15,18,20H,10-13H2,1-5H3
InChIKeyMNNRDEZWBFDYDF-UHFFFAOYSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile
CID 82951565
2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60969435
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 63472297
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (CID 82938199) is 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is COCCN(CC(O)c1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is MNNRDEZWBFDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)12-16-6-8-17(9-7-16)18(20)13-19(15(3)4)10-11-21-5/h6-9,14-15,18,20H,10-13H2,1-5H3.
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 293.45 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 82938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).