5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol

C18H31NO2 — CID 115493558

IUPAC5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCCCc1ccc(OCCCC(C)(CO)NCC)cc1
InChIInChI=1S/C18H31NO2/c1-4-6-8-16-9-11-17(12-10-16)21-14-7-13-18(3,15-20)19-5-2/h9-12,19-20H,4-8,13-15H2,1-3H3
InChIKeyGBXAAYILMCDRKR-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.55
Rot. Bonds11

About 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol

5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 115493558) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID115493558
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCCCc1ccc(OCCCC(C)(CO)NCC)cc1
InChIInChI=1S/C18H31NO2/c1-4-6-8-16-9-11-17(12-10-16)21-14-7-13-18(3,15-20)19-5-2/h9-12,19-20H,4-8,13-15H2,1-3H3
InChIKeyGBXAAYILMCDRKR-UHFFFAOYSA-N
XLogP3.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.55
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

5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
CID 106810666
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
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
tert-butyl N-[4-(4-heptoxyphenyl)-1-hydroxy-2-methylbutan-2-yl]carbamate
CID 58972210
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
2-amino-3-(4-butylphenoxy)-2-methylpropan-1-ol
CID 113322785

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol (CID 115493558) is 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol is CCCCc1ccc(OCCCC(C)(CO)NCC)cc1.
What is the InChIKey of 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is GBXAAYILMCDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-6-8-16-9-11-17(12-10-16)21-14-7-13-18(3,15-20)19-5-2/h9-12,19-20H,4-8,13-15H2,1-3H3.
What are the key properties of 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.55, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 115493558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).