1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine

C15H22FN — CID 107008902

IUPAC1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h3,9-11,15H,1,4-8,17H2,2H3
InChIKeyXEUKYMBRDZLZMS-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.27
Rot. Bonds7

About 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine

1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine (PubChem CID 107008902) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
PubChem CID107008902
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h3,9-11,15H,1,4-8,17H2,2H3
InChIKeyXEUKYMBRDZLZMS-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.27
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-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine
CID 107011543
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
1-(4-bromo-3-methylphenyl)hex-5-en-1-amine
CID 104987126
1-(4-ethylphenyl)oct-7-en-1-amine
CID 107008823
1-[(1S)-1-(4-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171164195
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
CID 116932886
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
CID 107011642

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine (CID 107008902) is 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine is C=CCCCCCC(N)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine?
The InChIKey is XEUKYMBRDZLZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h3,9-11,15H,1,4-8,17H2,2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine?
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine has a molecular weight of 235.35 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine is sourced from PubChem (CID 107008902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).