2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol

C16H23F2NO2 — CID 79882722

IUPAC2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCCCNCc1cc(F)c(OC2CCCCC2O)c(F)c1
InChIInChI=1S/C16H23F2NO2/c1-2-7-19-10-11-8-12(17)16(13(18)9-11)21-15-6-4-3-5-14(15)20/h8-9,14-15,19-20H,2-7,10H2,1H3
InChIKeyXWYHIQJKFVQXJV-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.15
Rot. Bonds6

About 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol

2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol (PubChem CID 79882722) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
PubChem CID79882722
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
SMILESCCCNCc1cc(F)c(OC2CCCCC2O)c(F)c1
InChIInChI=1S/C16H23F2NO2/c1-2-7-19-10-11-8-12(17)16(13(18)9-11)21-15-6-4-3-5-14(15)20/h8-9,14-15,19-20H,2-7,10H2,1H3
InChIKeyXWYHIQJKFVQXJV-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.15
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-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60879504
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-1-amine
CID 114619872
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol
CID 60879313
2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 107695812
N-[(4-cyclohexylsulfanyl-3,5-difluorophenyl)methyl]propan-1-amine
CID 63807884
3,5-difluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 79891467
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
N-[[3,5-difluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 79882719
N-[(3,5-difluoro-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 79892254
N-[(3,5-dibromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 107742316
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702737

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol (CID 79882722) is 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol is CCCNCc1cc(F)c(OC2CCCCC2O)c(F)c1.
What is the InChIKey of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
The InChIKey is XWYHIQJKFVQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-2-7-19-10-11-8-12(17)16(13(18)9-11)21-15-6-4-3-5-14(15)20/h8-9,14-15,19-20H,2-7,10H2,1H3.
What are the key properties of 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol?
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol has a molecular weight of 299.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 79882722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).