2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile

C13H15FN2O — CID 113429755

IUPAC2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C13H15FN2O/c14-11-4-5-13(17)10(6-11)8-16-12-3-1-2-9(12)7-15/h4-6,9,12,16-17H,1-3,8H2
InChIKeyXILBLNQEEDONRP-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.31
Rot. Bonds3

About 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile

2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 113429755) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID113429755
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C13H15FN2O/c14-11-4-5-13(17)10(6-11)8-16-12-3-1-2-9(12)7-15/h4-6,9,12,16-17H,1-3,8H2
InChIKeyXILBLNQEEDONRP-UHFFFAOYSA-N
XLogP2.31
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-dihydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 55151977
2-[(2-bromo-5-fluorophenyl)methylamino]cycloheptane-1-carbonitrile
CID 62741326
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 107694535
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
N-(2-cyanocyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 79602744
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62880782
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile (CID 113429755) is 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile is N#CC1CCCC1NCc1cc(F)ccc1O.
What is the InChIKey of 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is XILBLNQEEDONRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-11-4-5-13(17)10(6-11)8-16-12-3-1-2-9(12)7-15/h4-6,9,12,16-17H,1-3,8H2.
What are the key properties of 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile?
2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 113429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).