1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol

C17H29NO3 — CID 79037152

IUPAC1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol
SMILESCOCCN(CC(O)c1cc(C)cc(C)c1)C(C)COC
InChIInChI=1S/C17H29NO3/c1-13-8-14(2)10-16(9-13)17(19)11-18(6-7-20-4)15(3)12-21-5/h8-10,15,17,19H,6-7,11-12H2,1-5H3
InChIKeyUMZZQYVLPAOQGT-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.32
Rot. Bonds9

About 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol

1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol (PubChem CID 79037152) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol
PubChem CID79037152
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol
SMILESCOCCN(CC(O)c1cc(C)cc(C)c1)C(C)COC
InChIInChI=1S/C17H29NO3/c1-13-8-14(2)10-16(9-13)17(19)11-18(6-7-20-4)15(3)12-21-5/h8-10,15,17,19H,6-7,11-12H2,1-5H3
InChIKeyUMZZQYVLPAOQGT-UHFFFAOYSA-N
XLogP2.32
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol (CID 79037152) is 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol is COCCN(CC(O)c1cc(C)cc(C)c1)C(C)COC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol?
The InChIKey is UMZZQYVLPAOQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-8-14(2)10-16(9-13)17(19)11-18(6-7-20-4)15(3)12-21-5/h8-10,15,17,19H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol?
1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol has a molecular weight of 295.42 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol is sourced from PubChem (CID 79037152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).