1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine

C16H23F2N — CID 107008859

IUPAC1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-3-5-6-7-8-9-16(19-4-2)13-10-11-14(17)15(18)12-13/h3,10-12,16,19H,1,4-9H2,2H3
InChIKeyMDKMOCWCLSRQEB-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.75
Rot. Bonds9

About 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine

1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine (PubChem CID 107008859) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
PubChem CID107008859
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-3-5-6-7-8-9-16(19-4-2)13-10-11-14(17)15(18)12-13/h3,10-12,16,19H,1,4-9H2,2H3
InChIKeyMDKMOCWCLSRQEB-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.75
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

N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
CID 107012046
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673
1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
CID 82801652
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
CID 105153078
1-(3-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009145
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine (CID 107008859) is 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine is C=CCCCCCC(NCC)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine?
The InChIKey is MDKMOCWCLSRQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-5-6-7-8-9-16(19-4-2)13-10-11-14(17)15(18)12-13/h3,10-12,16,19H,1,4-9H2,2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine?
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine is sourced from PubChem (CID 107008859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).