1-(4-fluoro-3-methylphenyl)octan-1-amine

C15H24FN — CID 55186805

IUPAC1-(4-fluoro-3-methylphenyl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h9-11,15H,3-8,17H2,1-2H3
InChIKeyOTBOBQCLESNWOT-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.49
Rot. Bonds7

About 1-(4-fluoro-3-methylphenyl)octan-1-amine

1-(4-fluoro-3-methylphenyl)octan-1-amine (PubChem CID 55186805) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)octan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)octan-1-amine
PubChem CID55186805
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluoro-3-methylphenyl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h9-11,15H,3-8,17H2,1-2H3
InChIKeyOTBOBQCLESNWOT-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
1-(4-fluoro-3-methylphenyl)undecylhydrazine
CID 105204213
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
1-(4-fluoro-3-methylphenyl)hexylhydrazine
CID 105204173
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
CID 116932886
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171202599
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)octan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)octan-1-amine (CID 55186805) is 1-(4-fluoro-3-methylphenyl)octan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)octan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)octan-1-amine is CCCCCCCC(N)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)octan-1-amine?
The InChIKey is OTBOBQCLESNWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h9-11,15H,3-8,17H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)octan-1-amine?
1-(4-fluoro-3-methylphenyl)octan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.49, 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)octan-1-amine is sourced from PubChem (CID 55186805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).