2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol

C16H24FNO2 — CID 107695812

IUPAC2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCCCNCc1cc(F)ccc1OC1CCCCC1O
InChIInChI=1S/C16H24FNO2/c1-2-9-18-11-12-10-13(17)7-8-15(12)20-16-6-4-3-5-14(16)19/h7-8,10,14,16,18-19H,2-6,9,11H2,1H3
InChIKeyYUECCESFHCCVMG-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.01
Rot. Bonds6

About 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol

2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol (PubChem CID 107695812) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
PubChem CID107695812
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCCCNCc1cc(F)ccc1OC1CCCCC1O
InChIInChI=1S/C16H24FNO2/c1-2-9-18-11-12-10-13(17)7-8-15(12)20-16-6-4-3-5-14(16)19/h7-8,10,14,16,18-19H,2-6,9,11H2,1H3
InChIKeyYUECCESFHCCVMG-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-bromo-2-(propylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60881988
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 107695902
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 107695883
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 79882722
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol
CID 63324546
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]propan-1-amine
CID 55240804
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 102732616
2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 63269274
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol (CID 107695812) is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol is CCCNCc1cc(F)ccc1OC1CCCCC1O.
What is the InChIKey of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The InChIKey is YUECCESFHCCVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-9-18-11-12-10-13(17)7-8-15(12)20-16-6-4-3-5-14(16)19/h7-8,10,14,16,18-19H,2-6,9,11H2,1H3.
What are the key properties of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 107695812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).