1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

C14H23NO2 — CID 66335778

IUPAC1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1c(C)cccc1C
InChIInChI=1S/C14H23NO2/c1-5-15-9-14(4,16)10-17-13-11(2)7-6-8-12(13)3/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyYYJLTGJMJMJQGD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 66335778) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID66335778
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1c(C)cccc1C
InChIInChI=1S/C14H23NO2/c1-5-15-9-14(4,16)10-17-13-11(2)7-6-8-12(13)3/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyYYJLTGJMJMJQGD-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 107283637
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336408
1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
CID 66335040
1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 66335781
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (CID 66335778) is 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)COc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is YYJLTGJMJMJQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15-9-14(4,16)10-17-13-11(2)7-6-8-12(13)3/h6-8,15-16H,5,9-10H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66335778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).