2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol

C16H26FNO2 — CID 106810534

IUPAC2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOc1cccc(F)c1
InChIInChI=1S/C16H26FNO2/c1-3-10-18-16(4-2,13-19)9-6-11-20-15-8-5-7-14(17)12-15/h5,7-8,12,18-19H,3-4,6,9-11,13H2,1-2H3
InChIKeyMRWSZGFWADHXOY-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.13
Rot. Bonds10

About 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol

2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol (PubChem CID 106810534) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
PubChem CID106810534
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOc1cccc(F)c1
InChIInChI=1S/C16H26FNO2/c1-3-10-18-16(4-2,13-19)9-6-11-20-15-8-5-7-14(17)12-15/h5,7-8,12,18-19H,3-4,6,9-11,13H2,1-2H3
InChIKeyMRWSZGFWADHXOY-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.13
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-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
CID 106810528
5-(2,4-dimethylphenoxy)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810447
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
CID 106810286
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
CID 106810519
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol (CID 106810534) is 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCOc1cccc(F)c1.
What is the InChIKey of 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol?
The InChIKey is MRWSZGFWADHXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-3-10-18-16(4-2,13-19)9-6-11-20-15-8-5-7-14(17)12-15/h5,7-8,12,18-19H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol?
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106810534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).