4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol

C13H19F2NO2 — CID 106840787

IUPAC4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
SMILESCC(NCCCCO)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-10(16-8-4-5-9-17)11-6-2-3-7-12(11)18-13(14)15/h2-3,6-7,10,13,16-17H,4-5,8-9H2,1H3
InChIKeyDYVJIKUDQPQBIY-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.71
Rot. Bonds8

About 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol

4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol (PubChem CID 106840787) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
PubChem CID106840787
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
SMILESCC(NCCCCO)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-10(16-8-4-5-9-17)11-6-2-3-7-12(11)18-13(14)15/h2-3,6-7,10,13,16-17H,4-5,8-9H2,1H3
InChIKeyDYVJIKUDQPQBIY-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.71
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

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutan-1-amine
CID 115721477
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008
3-[2-[1-(2-methoxyphenyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 113261259
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 43207134
1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43106895
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol
CID 110887860

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
The IUPAC name of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol (CID 106840787) is 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol.
What is the SMILES notation for 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
The canonical SMILES for 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol is CC(NCCCCO)c1ccccc1OC(F)F.
What is the InChIKey of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
The InChIKey is DYVJIKUDQPQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-10(16-8-4-5-9-17)11-6-2-3-7-12(11)18-13(14)15/h2-3,6-7,10,13,16-17H,4-5,8-9H2,1H3.
What are the key properties of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol?
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol is sourced from PubChem (CID 106840787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).