5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol

C17H29NO2 — CID 64802679

IUPAC5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)14-7-9-15(10-8-14)20-12-6-11-17(4,13-19)18-5/h7-10,18-19H,6,11-13H2,1-5H3
InChIKeyYMHOCCVDWYFJLP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.11
Rot. Bonds7

About 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol

5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64802679) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64802679
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)14-7-9-15(10-8-14)20-12-6-11-17(4,13-19)18-5/h7-10,18-19H,6,11-13H2,1-5H3
InChIKeyYMHOCCVDWYFJLP-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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
CID 64803067
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
2-methyl-2-(methylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64807692
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802269

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol (CID 64802679) is 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is YMHOCCVDWYFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)14-7-9-15(10-8-14)20-12-6-11-17(4,13-19)18-5/h7-10,18-19H,6,11-13H2,1-5H3.
What are the key properties of 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-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 5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64802679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).