5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol

C15H22FNO — CID 107417292

IUPAC5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
SMILESCC(NCC1CCCC1C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-10-4-3-5-12(10)9-17-11(2)14-7-6-13(16)8-15(14)18/h6-8,10-12,17-18H,3-5,9H2,1-2H3
InChIKeySVFANHPLVLMRCJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.62
Rot. Bonds4

About 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol

5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol (PubChem CID 107417292) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
PubChem CID107417292
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
SMILESCC(NCC1CCCC1C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-10-4-3-5-12(10)9-17-11(2)14-7-6-13(16)8-15(14)18/h6-8,10-12,17-18H,3-5,9H2,1-2H3
InChIKeySVFANHPLVLMRCJ-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
CID 66006234
5-fluoro-2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80601318
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
1-(5-fluoro-2-pyridinyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 83117695
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol (CID 107417292) is 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol is CC(NCC1CCCC1C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol?
The InChIKey is SVFANHPLVLMRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-4-3-5-12(10)9-17-11(2)14-7-6-13(16)8-15(14)18/h6-8,10-12,17-18H,3-5,9H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol?
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol has a molecular weight of 251.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol is sourced from PubChem (CID 107417292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).