6-(N-ethyl-4-fluoroanilino)hexan-1-ol

C14H22FNO — CID 103738482

IUPAC6-(N-ethyl-4-fluoroanilino)hexan-1-ol
SMILESCCN(CCCCCCO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-2-16(11-5-3-4-6-12-17)14-9-7-13(15)8-10-14/h7-10,17H,2-6,11-12H2,1H3
InChIKeyFQAQEMQWMQXFOR-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.20
Rot. Bonds8

About 6-(N-ethyl-4-fluoroanilino)hexan-1-ol

6-(N-ethyl-4-fluoroanilino)hexan-1-ol (PubChem CID 103738482) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 6-(N-ethyl-4-fluoroanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(N-ethyl-4-fluoroanilino)hexan-1-ol
PubChem CID103738482
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name6-(N-ethyl-4-fluoroanilino)hexan-1-ol
SMILESCCN(CCCCCCO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-2-16(11-5-3-4-6-12-17)14-9-7-13(15)8-10-14/h7-10,17H,2-6,11-12H2,1H3
InChIKeyFQAQEMQWMQXFOR-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Phenyl diethanolamine
CID 8416
2-(N-ethylanilino)ethanol
CID 62338
2-(N-Methylanilino)ethanol
CID 62340
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
2-(4-Amino-N-ethylanilino)ethanol
CID 66713
Benzeneamine, N,N-dibutyl-4-fluoro
CID 15399711
2-Propanol, 1-diphenylamino-
CID 98335
2-((4-Fluorophenyl)amino)ethan-1-ol
CID 25791236
N,N-Diethyl-4-fluoroaniline
CID 592416
(1-Phenylpyrrolidin-3-yl)methanol
CID 17999087
1-(N-phenylanilino)butan-2-ol
CID 4122647
(2-Hydroxy-ethyl)-dimethyl-phenyl-ammonium
CID 44335202

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-4-fluoroanilino)hexan-1-ol?
The IUPAC name of 6-(N-ethyl-4-fluoroanilino)hexan-1-ol (CID 103738482) is 6-(N-ethyl-4-fluoroanilino)hexan-1-ol.
What is the SMILES notation for 6-(N-ethyl-4-fluoroanilino)hexan-1-ol?
The canonical SMILES for 6-(N-ethyl-4-fluoroanilino)hexan-1-ol is CCN(CCCCCCO)c1ccc(F)cc1.
What is the InChIKey of 6-(N-ethyl-4-fluoroanilino)hexan-1-ol?
The InChIKey is FQAQEMQWMQXFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-2-16(11-5-3-4-6-12-17)14-9-7-13(15)8-10-14/h7-10,17H,2-6,11-12H2,1H3.
What are the key properties of 6-(N-ethyl-4-fluoroanilino)hexan-1-ol?
6-(N-ethyl-4-fluoroanilino)hexan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-4-fluoroanilino)hexan-1-ol is sourced from PubChem (CID 103738482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).