6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol

C17H29NO2 — CID 64803053

IUPAC6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCOc1c(C)cccc1C
InChIInChI=1S/C17H29NO2/c1-5-18-17(4,13-19)11-6-7-12-20-16-14(2)9-8-10-15(16)3/h8-10,18-19H,5-7,11-13H2,1-4H3
InChIKeyXUENTZVJOAZTLZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.21
Rot. Bonds9

About 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol

6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64803053) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64803053
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCOc1c(C)cccc1C
InChIInChI=1S/C17H29NO2/c1-5-18-17(4,13-19)11-6-7-12-20-16-14(2)9-8-10-15(16)3/h8-10,18-19H,5-7,11-13H2,1-4H3
InChIKeyXUENTZVJOAZTLZ-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916
2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64807692
2-decoxy-1,3-dimethylbenzene
CID 83057478
5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810959
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol (CID 64803053) is 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCOc1c(C)cccc1C.
What is the InChIKey of 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is XUENTZVJOAZTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-18-17(4,13-19)11-6-7-12-20-16-14(2)9-8-10-15(16)3/h8-10,18-19H,5-7,11-13H2,1-4H3.
What are the key properties of 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol?
6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64803053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).