N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine

C17H26FNO — CID 107012046

IUPACN-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H26FNO/c1-4-6-7-8-9-10-16(19-5-2)14-11-12-15(18)17(13-14)20-3/h4,11-13,16,19H,1,5-10H2,2-3H3
InChIKeyLCIHUXMJUWZWOU-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.62
Rot. Bonds10

About N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine

N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine (PubChem CID 107012046) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
PubChem CID107012046
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H26FNO/c1-4-6-7-8-9-10-16(19-5-2)14-11-12-15(18)17(13-14)20-3/h4,11-13,16,19H,1,5-10H2,2-3H3
InChIKeyLCIHUXMJUWZWOU-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyloct-7-en-1-amine
CID 107008859
1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine
CID 105311539
1-(3,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012370
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
1-(4-fluoro-3-methoxyphenyl)octylhydrazine
CID 105293533
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
CID 104986857
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine (CID 107012046) is N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine is C=CCCCCCC(NCC)c1ccc(F)c(OC)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine?
The InChIKey is LCIHUXMJUWZWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-6-7-8-9-10-16(19-5-2)14-11-12-15(18)17(13-14)20-3/h4,11-13,16,19H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine?
N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine is sourced from PubChem (CID 107012046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).