5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine

C17H22FN — CID 173294309

IUPAC5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCCC(F)=C1CCCc1ccccc1
InChIInChI=1S/C17H22FN/c1-19(2)17-13-7-12-16(18)15(17)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKeyZXVVCFZLMPBTGI-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.47
Rot. Bonds5

About 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine

5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine (PubChem CID 173294309) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine
PubChem CID173294309
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCCC(F)=C1CCCc1ccccc1
InChIInChI=1S/C17H22FN/c1-19(2)17-13-7-12-16(18)15(17)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKeyZXVVCFZLMPBTGI-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
Trimethyldiphenylpropylamine
CID 30966
3,3-diphenyl-N-dimethylpropylamine
CID 151221
MPTP hydrochloride
CID 161406
N,N-dimethyl-4,4-diphenylbutan-1-amine
CID 120445
Methyl-phenethyl-(5-phenyl-pentyl)-amine
CID 9925741
4-Methyl-1-(5-phenyl-pentyl)-piperidine
CID 9992101
Methyl-(5-phenyl-pentyl)-(3-phenyl-propyl)-amine
CID 18790190
Methyl-(5-phenyl-pentyl)-propyl-amine
CID 18790258
N,N-Dimethyl-5-phenylpentan-1-amine
CID 12347284
N,N-dibutyl-3-(4-fluorophenyl)propylamine
CID 46212109
N,N-Dioctyl-3-(4-fluorophenyl)propylamine
CID 46906451

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine (CID 173294309) is 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine is CN(C)C1=CCCC(F)=C1CCCc1ccccc1.
What is the InChIKey of 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is ZXVVCFZLMPBTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-19(2)17-13-7-12-16(18)15(17)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine?
5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 259.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 173294309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).