6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol

C15H23F2NO2 — CID 103913178

IUPAC6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
SMILESCC(NCCCCCCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-12(18-9-4-2-3-5-10-19)13-7-6-8-14(11-13)20-15(16)17/h6-8,11-12,15,18-19H,2-5,9-10H2,1H3
InChIKeyTZGUBBONDUMHRB-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.49
Rot. Bonds10

About 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol

6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol (PubChem CID 103913178) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
PubChem CID103913178
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
SMILESCC(NCCCCCCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-12(18-9-4-2-3-5-10-19)13-7-6-8-14(11-13)20-15(16)17/h6-8,11-12,15,18-19H,2-5,9-10H2,1H3
InChIKeyTZGUBBONDUMHRB-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.49
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-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
ethyl 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 64577944
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol?
The IUPAC name of 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol (CID 103913178) is 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol?
The canonical SMILES for 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol is CC(NCCCCCCO)c1cccc(OC(F)F)c1.
What is the InChIKey of 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol?
The InChIKey is TZGUBBONDUMHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-12(18-9-4-2-3-5-10-19)13-7-6-8-14(11-13)20-15(16)17/h6-8,11-12,15,18-19H,2-5,9-10H2,1H3.
What are the key properties of 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol?
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol has a molecular weight of 287.35 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol is sourced from PubChem (CID 103913178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).