2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide

C15H23FN2O2 — CID 63067468

IUPAC2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H23FN2O2/c1-9(2)7-13(15(20)17-4)18-10(3)12-6-5-11(16)8-14(12)19/h5-6,8-10,13,18-19H,7H2,1-4H3,(H,17,20)
InChIKeyHWMIQNPSRJXLSY-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.34
Rot. Bonds6

About 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide

2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide (PubChem CID 63067468) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
PubChem CID63067468
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C15H23FN2O2/c1-9(2)7-13(15(20)17-4)18-10(3)12-6-5-11(16)8-14(12)19/h5-6,8-10,13,18-19H,7H2,1-4H3,(H,17,20)
InChIKeyHWMIQNPSRJXLSY-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 115745769
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675015
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
5-fluoro-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 104584218
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 63068169
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
N,4-dimethyl-2-(1-thiophen-2-ylethylamino)pentanamide
CID 43750667
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide (CID 63067468) is 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide?
The InChIKey is HWMIQNPSRJXLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-9(2)7-13(15(20)17-4)18-10(3)12-6-5-11(16)8-14(12)19/h5-6,8-10,13,18-19H,7H2,1-4H3,(H,17,20).
What are the key properties of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide?
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide has a molecular weight of 282.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 63067468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).