1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine

C18H27F2N — CID 107012123

IUPAC1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1ccc(F)c(F)c1)NCCC
InChIInChI=1S/C18H27F2N/c1-3-5-6-7-8-9-16(21-12-4-2)13-15-10-11-17(19)18(20)14-15/h3,10-11,14,16,21H,1,4-9,12-13H2,2H3
InChIKeyMUPIWYYLNCPBQX-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.01
Rot. Bonds11

About 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine

1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine (PubChem CID 107012123) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
PubChem CID107012123
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1ccc(F)c(F)c1)NCCC
InChIInChI=1S/C18H27F2N/c1-3-5-6-7-8-9-16(21-12-4-2)13-15-10-11-17(19)18(20)14-15/h3,10-11,14,16,21H,1,4-9,12-13H2,2H3
InChIKeyMUPIWYYLNCPBQX-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.01
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-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-ethyl-1-(4-fluorophenyl)non-8-en-2-amine
CID 107008868
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995
1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
CID 107008986
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine (CID 107012123) is 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine is C=CCCCCCC(Cc1ccc(F)c(F)c1)NCCC.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine?
The InChIKey is MUPIWYYLNCPBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-3-5-6-7-8-9-16(21-12-4-2)13-15-10-11-17(19)18(20)14-15/h3,10-11,14,16,21H,1,4-9,12-13H2,2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine?
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine has a molecular weight of 295.42 g/mol, XLogP of 5.01, 11 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-propylnon-8-en-2-amine is sourced from PubChem (CID 107012123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).