2-[1-(dibutylamino)ethyl]-5-fluorophenol

C16H26FNO — CID 82974153

IUPAC2-[1-(dibutylamino)ethyl]-5-fluorophenol
SMILESCCCCN(CCCC)C(C)c1ccc(F)cc1O
InChIInChI=1S/C16H26FNO/c1-4-6-10-18(11-7-5-2)13(3)15-9-8-14(17)12-16(15)19/h8-9,12-13,19H,4-7,10-11H2,1-3H3
InChIKeyIRXLSAXXTFAYAU-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.49
Rot. Bonds8

About 2-[1-(dibutylamino)ethyl]-5-fluorophenol

2-[1-(dibutylamino)ethyl]-5-fluorophenol (PubChem CID 82974153) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[1-(dibutylamino)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(dibutylamino)ethyl]-5-fluorophenol
PubChem CID82974153
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-[1-(dibutylamino)ethyl]-5-fluorophenol
SMILESCCCCN(CCCC)C(C)c1ccc(F)cc1O
InChIInChI=1S/C16H26FNO/c1-4-6-10-18(11-7-5-2)13(3)15-9-8-14(17)12-16(15)19/h8-9,12-13,19H,4-7,10-11H2,1-3H3
InChIKeyIRXLSAXXTFAYAU-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[bis(3-methylbutyl)amino]ethyl]-5-fluorophenol
CID 107871890
2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide
CID 82979371
2-[1-[butan-2-yl(methyl)amino]ethyl]-5-fluorophenol
CID 82977411
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
3-[1-(4-fluoro-2-hydroxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65058577
2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82977734
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 104582209
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
2-[[butan-2-yl(butyl)amino]methyl]-5-fluoroaniline
CID 64769385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dibutylamino)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(dibutylamino)ethyl]-5-fluorophenol (CID 82974153) is 2-[1-(dibutylamino)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(dibutylamino)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(dibutylamino)ethyl]-5-fluorophenol is CCCCN(CCCC)C(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-(dibutylamino)ethyl]-5-fluorophenol?
The InChIKey is IRXLSAXXTFAYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-6-10-18(11-7-5-2)13(3)15-9-8-14(17)12-16(15)19/h8-9,12-13,19H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[1-(dibutylamino)ethyl]-5-fluorophenol?
2-[1-(dibutylamino)ethyl]-5-fluorophenol has a molecular weight of 267.39 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dibutylamino)ethyl]-5-fluorophenol is sourced from PubChem (CID 82974153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).