4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol

C17H29NO2 — CID 64802883

IUPAC4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-18-17(5,13-19)11-12-20-15-9-7-14(8-10-15)16(2,3)4/h7-10,18-19H,6,11-13H2,1-5H3
InChIKeyANABNSDEFAIPCG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.11
Rot. Bonds7

About 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol

4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol (PubChem CID 64802883) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
PubChem CID64802883
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-18-17(5,13-19)11-12-20-15-9-7-14(8-10-15)16(2,3)4/h7-10,18-19H,6,11-13H2,1-5H3
InChIKeyANABNSDEFAIPCG-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64808141
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
CID 64803815
5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810959
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol
CID 107710127
2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
CID 64803067

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol (CID 64802883) is 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol is CCNC(C)(CO)CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is ANABNSDEFAIPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-18-17(5,13-19)11-12-20-15-9-7-14(8-10-15)16(2,3)4/h7-10,18-19H,6,11-13H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol?
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64802883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).