5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol

C14H21F2NO2 — CID 64810959

IUPAC5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCOc1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2NO2/c1-3-17-14(2,10-18)5-4-6-19-13-8-11(15)7-12(16)9-13/h7-9,17-18H,3-6,10H2,1-2H3
InChIKeyZPKBYDMWDABEHC-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.48
Rot. Bonds8

About 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol

5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64810959) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64810959
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCOc1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2NO2/c1-3-17-14(2,10-18)5-4-6-19-13-8-11(15)7-12(16)9-13/h7-9,17-18H,3-6,10H2,1-2H3
InChIKeyZPKBYDMWDABEHC-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.48
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
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64808141
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
ethyl 4-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62784331
5-(3,5-difluorophenoxy)-2,2-dimethylpentanoic acid
CID 65259869
6-(2,6-dimethylphenoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 64803053
6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
CID 64820158
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol (CID 64810959) is 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CCCOc1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is ZPKBYDMWDABEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-17-14(2,10-18)5-4-6-19-13-8-11(15)7-12(16)9-13/h7-9,17-18H,3-6,10H2,1-2H3.
What are the key properties of 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 273.32 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64810959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).