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

C17H29NO2 — CID 79038886

IUPAC1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
SMILESCOCCN(CC(C)C)CC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)11-18(6-7-20-5)12-17(19)16-9-14(3)8-15(4)10-16/h8-10,13,17,19H,6-7,11-12H2,1-5H3
InChIKeyXUNAHTZEZFEFAL-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.94
Rot. Bonds8

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

1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol (PubChem CID 79038886) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
PubChem CID79038886
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
SMILESCOCCN(CC(C)C)CC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)11-18(6-7-20-5)12-17(19)16-9-14(3)8-15(4)10-16/h8-10,13,17,19H,6-7,11-12H2,1-5H3
InChIKeyXUNAHTZEZFEFAL-UHFFFAOYSA-N
XLogP2.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-[ethyl(2-methoxyethyl)amino]ethanol
CID 79038389
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanol
CID 79037152
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79040475
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79037102
1-(2-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265978
N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 54986790
2-[ethyl(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54983134
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
CID 110936012
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol (CID 79038886) is 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol is COCCN(CC(C)C)CC(O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol?
The InChIKey is XUNAHTZEZFEFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)11-18(6-7-20-5)12-17(19)16-9-14(3)8-15(4)10-16/h8-10,13,17,19H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol?
1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol has a molecular weight of 279.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol is sourced from PubChem (CID 79038886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).