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

C16H25F2NO2 — CID 107702737

IUPAC6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
SMILESCCCNCc1cc(F)c(OCCCCCCO)c(F)c1
InChIInChI=1S/C16H25F2NO2/c1-2-7-19-12-13-10-14(17)16(15(18)11-13)21-9-6-4-3-5-8-20/h10-11,19-20H,2-9,12H2,1H3
InChIKeyNFZCYSINDVATJW-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.40
Rot. Bonds11

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

6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol (PubChem CID 107702737) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
PubChem CID107702737
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
SMILESCCCNCc1cc(F)c(OCCCCCCO)c(F)c1
InChIInChI=1S/C16H25F2NO2/c1-2-7-19-12-13-10-14(17)16(15(18)11-13)21-9-6-4-3-5-8-20/h10-11,19-20H,2-9,12H2,1H3
InChIKeyNFZCYSINDVATJW-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.40
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

3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
N-[[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-1-amine
CID 115513284
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
methyl 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propanoate
CID 79892021
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
N-[[3,5-difluoro-4-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032859
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 79882732
N-[[3,5-difluoro-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-1-amine
CID 116615145
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol (CID 107702737) is 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol is CCCNCc1cc(F)c(OCCCCCCO)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol?
The InChIKey is NFZCYSINDVATJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-2-7-19-12-13-10-14(17)16(15(18)11-13)21-9-6-4-3-5-8-20/h10-11,19-20H,2-9,12H2,1H3.
What are the key properties of 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol?
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol has a molecular weight of 301.38 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 107702737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).