1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine

C16H23ClFN — CID 107009080

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFN/c1-3-5-6-7-8-9-16(19-4-2)14-11-10-13(17)12-15(14)18/h3,10-12,16,19H,1,4-9H2,2H3
InChIKeyHOZLJONJKLQSEP-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.27
Rot. Bonds9

About 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine

1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine (PubChem CID 107009080) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
PubChem CID107009080
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFN/c1-3-5-6-7-8-9-16(19-4-2)14-11-10-13(17)12-15(14)18/h3,10-12,16,19H,1,4-9H2,2H3
InChIKeyHOZLJONJKLQSEP-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.82
LogP ≤ 55.27
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-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009145
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
CID 107012046
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine (CID 107009080) is 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine is C=CCCCCCC(NCC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
The InChIKey is HOZLJONJKLQSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-5-6-7-8-9-16(19-4-2)14-11-10-13(17)12-15(14)18/h3,10-12,16,19H,1,4-9H2,2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine has a molecular weight of 283.82 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine is sourced from PubChem (CID 107009080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).