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

C16H25FN2O — CID 63318425

IUPAC2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
SMILESCC(NCCN(C)C1CCCC1)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O/c1-12(15-8-7-13(17)11-16(15)20)18-9-10-19(2)14-5-3-4-6-14/h7-8,11-12,14,18,20H,3-6,9-10H2,1-2H3
InChIKeyHPPJPYAXNSVCOC-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.06
Rot. Bonds6

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

2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol (PubChem CID 63318425) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
PubChem CID63318425
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
SMILESCC(NCCN(C)C1CCCC1)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O/c1-12(15-8-7-13(17)11-16(15)20)18-9-10-19(2)14-5-3-4-6-14/h7-8,11-12,14,18,20H,3-6,9-10H2,1-2H3
InChIKeyHPPJPYAXNSVCOC-UHFFFAOYSA-N
XLogP3.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.06
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-fluorophenol
CID 104582209
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
5-fluoro-2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80601318
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63828726

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol (CID 63318425) is 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol is CC(NCCN(C)C1CCCC1)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
The InChIKey is HPPJPYAXNSVCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(15-8-7-13(17)11-16(15)20)18-9-10-19(2)14-5-3-4-6-14/h7-8,11-12,14,18,20H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol?
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol has a molecular weight of 280.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63318425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).