4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol

C14H21F2NO2 — CID 79891366

IUPAC4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
SMILESCC(C)NCc1cc(F)c(OCCCCO)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-10(2)17-9-11-7-12(15)14(13(16)8-11)19-6-4-3-5-18/h7-8,10,17-18H,3-6,9H2,1-2H3
InChIKeyOCOXMNQCLIBNAH-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.61
Rot. Bonds8

About 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol

4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol (PubChem CID 79891366) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
PubChem CID79891366
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
SMILESCC(C)NCc1cc(F)c(OCCCCO)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-10(2)17-9-11-7-12(15)14(13(16)8-11)19-6-4-3-5-18/h7-8,10,17-18H,3-6,9H2,1-2H3
InChIKeyOCOXMNQCLIBNAH-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.61
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

5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 79892106
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702737
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
N-[[3,5-difluoro-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
CID 79891870
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 79891940
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
6-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702513
2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 79891777

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol?
The IUPAC name of 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol (CID 79891366) is 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol.
What is the SMILES notation for 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol?
The canonical SMILES for 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol is CC(C)NCc1cc(F)c(OCCCCO)c(F)c1.
What is the InChIKey of 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol?
The InChIKey is OCOXMNQCLIBNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(2)17-9-11-7-12(15)14(13(16)8-11)19-6-4-3-5-18/h7-8,10,17-18H,3-6,9H2,1-2H3.
What are the key properties of 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol?
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol has a molecular weight of 273.32 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol is sourced from PubChem (CID 79891366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).