2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol

C17H29NO3 — CID 115613652

IUPAC2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
SMILESCOCCN(CCO)CCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO3/c1-14(2)17-6-5-16(13-15(17)3)21-12-9-18(7-10-19)8-11-20-4/h5-6,13-14,19H,7-12H2,1-4H3
InChIKeyTYIYJZXEHPIUMZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.44
Rot. Bonds10

About 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol

2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol (PubChem CID 115613652) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
PubChem CID115613652
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
SMILESCOCCN(CCO)CCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO3/c1-14(2)17-6-5-16(13-15(17)3)21-12-9-18(7-10-19)8-11-20-4/h5-6,13-14,19H,7-12H2,1-4H3
InChIKeyTYIYJZXEHPIUMZ-UHFFFAOYSA-N
XLogP2.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
CID 112815261
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459
2-methyl-1-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-2-ol
CID 78964659
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 5262022
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol
CID 115613860
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol (CID 115613652) is 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol is COCCN(CCO)CCOc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
The InChIKey is TYIYJZXEHPIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-14(2)17-6-5-16(13-15(17)3)21-12-9-18(7-10-19)8-11-20-4/h5-6,13-14,19H,7-12H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol?
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol has a molecular weight of 295.42 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 115613652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).