1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol

C14H20FNO2 — CID 112608937

IUPAC1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCNCc1cccc(F)c1OCC1(O)CCCC1
InChIInChI=1S/C14H20FNO2/c1-16-9-11-5-4-6-12(15)13(11)18-10-14(17)7-2-3-8-14/h4-6,16-17H,2-3,7-10H2,1H3
InChIKeyLSSNLSCCDOYJIT-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.23
Rot. Bonds5

About 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol

1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol (PubChem CID 112608937) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
PubChem CID112608937
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCNCc1cccc(F)c1OCC1(O)CCCC1
InChIInChI=1S/C14H20FNO2/c1-16-9-11-5-4-6-12(15)13(11)18-10-14(17)7-2-3-8-14/h4-6,16-17H,2-3,7-10H2,1H3
InChIKeyLSSNLSCCDOYJIT-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol 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-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 112608780
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
1-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 107695107
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
4-[(2,6-difluorophenoxy)methyl]oxan-4-ol
CID 167772945
1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65211332
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol (CID 112608937) is 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol is CNCc1cccc(F)c1OCC1(O)CCCC1.
What is the InChIKey of 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is LSSNLSCCDOYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-9-11-5-4-6-12(15)13(11)18-10-14(17)7-2-3-8-14/h4-6,16-17H,2-3,7-10H2,1H3.
What are the key properties of 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 112608937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).