1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine

C17H25ClFN — CID 107009055

IUPAC1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1ccc(F)cc1Cl)NCC
InChIInChI=1S/C17H25ClFN/c1-3-5-6-7-8-9-16(20-4-2)12-14-10-11-15(19)13-17(14)18/h3,10-11,13,16,20H,1,4-9,12H2,2H3
InChIKeyNHWYOCBTKOTYTL-UHFFFAOYSA-N
MW297.85 g/mol
LogP5.14
Rot. Bonds10

About 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine

1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine (PubChem CID 107009055) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
PubChem CID107009055
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1ccc(F)cc1Cl)NCC
InChIInChI=1S/C17H25ClFN/c1-3-5-6-7-8-9-16(20-4-2)12-14-10-11-15(19)13-17(14)18/h3,10-11,13,16,20H,1,4-9,12H2,2H3
InChIKeyNHWYOCBTKOTYTL-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
N-ethyl-1-(4-fluorophenyl)non-8-en-2-amine
CID 107008868
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
CID 107008986
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
1-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine (CID 107009055) is 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine is C=CCCCCCC(Cc1ccc(F)cc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine?
The InChIKey is NHWYOCBTKOTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-3-5-6-7-8-9-16(20-4-2)12-14-10-11-15(19)13-17(14)18/h3,10-11,13,16,20H,1,4-9,12H2,2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine?
1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine has a molecular weight of 297.85 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine is sourced from PubChem (CID 107009055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).