2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol

C15H25FN2O — CID 104582209

IUPAC2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
SMILESCCC(C)N(C)CCNC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H25FN2O/c1-5-11(2)18(4)9-8-17-12(3)14-7-6-13(16)10-15(14)19/h6-7,10-12,17,19H,5,8-9H2,1-4H3
InChIKeyQBZPLEYASMUSCU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.91
Rot. Bonds7

About 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol

2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol (PubChem CID 104582209) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
PubChem CID104582209
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
SMILESCCC(C)N(C)CCNC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H25FN2O/c1-5-11(2)18(4)9-8-17-12(3)14-7-6-13(16)10-15(14)19/h6-7,10-12,17,19H,5,8-9H2,1-4H3
InChIKeyQBZPLEYASMUSCU-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
CID 104582210
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431
2-[1-[butan-2-yl(methyl)amino]ethyl]-5-fluorophenol
CID 82977411
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63828726
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol (CID 104582209) is 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol is CCC(C)N(C)CCNC(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
The InChIKey is QBZPLEYASMUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-11(2)18(4)9-8-17-12(3)14-7-6-13(16)10-15(14)19/h6-7,10-12,17,19H,5,8-9H2,1-4H3.
What are the key properties of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol has a molecular weight of 268.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 104582209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).