1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine

C16H23ClFN — CID 107009145

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-3-5-6-7-8-12-15(19-4-2)13-10-9-11-14(17)16(13)18/h3,9-11,15,19H,1,4-8,12H2,2H3
InChIKeyBHXACKLAMZVSBW-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.27
Rot. Bonds9

About 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine

1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine (PubChem CID 107009145) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
PubChem CID107009145
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-3-5-6-7-8-12-15(19-4-2)13-10-9-11-14(17)16(13)18/h3,9-11,15,19H,1,4-8,12H2,2H3
InChIKeyBHXACKLAMZVSBW-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-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64712462
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
N-[1-(3-chloro-2-fluorophenyl)propyl]but-3-en-2-amine
CID 104705480
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
1-(2,6-dichlorophenyl)-N-ethylbut-3-en-1-amine
CID 115814034

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine (CID 107009145) is 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine is C=CCCCCCC(NCC)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
The InChIKey is BHXACKLAMZVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-5-6-7-8-12-15(19-4-2)13-10-9-11-14(17)16(13)18/h3,9-11,15,19H,1,4-8,12H2,2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine?
1-(3-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-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine is sourced from PubChem (CID 107009145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).