4-(2-fluoro-5-methylphenyl)azepane

C13H18FN — CID 83262245

IUPAC4-(2-fluoro-5-methylphenyl)azepane
SMILESCc1ccc(F)c(C2CCCNCC2)c1
InChIInChI=1S/C13H18FN/c1-10-4-5-13(14)12(9-10)11-3-2-7-15-8-6-11/h4-5,9,11,15H,2-3,6-8H2,1H3
InChIKeyQXPGKZWLYBSHQI-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.99
Rot. Bonds1

About 4-(2-fluoro-5-methylphenyl)azepane

4-(2-fluoro-5-methylphenyl)azepane (PubChem CID 83262245) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)azepane.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)azepane
PubChem CID83262245
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-(2-fluoro-5-methylphenyl)azepane
SMILESCc1ccc(F)c(C2CCCNCC2)c1
InChIInChI=1S/C13H18FN/c1-10-4-5-13(14)12(9-10)11-3-2-7-15-8-6-11/h4-5,9,11,15H,2-3,6-8H2,1H3
InChIKeyQXPGKZWLYBSHQI-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
1-bromo-3-(2-fluoro-5-methylphenyl)cycloheptane
CID 64507624
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
4-(2,3-difluorophenyl)azepane
CID 83262443
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
CID 11381601
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
3-(2,4-dimethylphenyl)piperidine
CID 10535662
1-fluoro-2,4-dimethylbenzene;3-methylpiperidine
CID 146172473
4-[2-(2-chloro-4-fluorophenyl)sulfanyl-5-methylphenyl]piperidine
CID 11279102
4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride
CID 170994863

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)azepane?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)azepane (CID 83262245) is 4-(2-fluoro-5-methylphenyl)azepane.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)azepane?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)azepane is Cc1ccc(F)c(C2CCCNCC2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)azepane?
The InChIKey is QXPGKZWLYBSHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-4-5-13(14)12(9-10)11-3-2-7-15-8-6-11/h4-5,9,11,15H,2-3,6-8H2,1H3.
What are the key properties of 4-(2-fluoro-5-methylphenyl)azepane?
4-(2-fluoro-5-methylphenyl)azepane has a molecular weight of 207.29 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)azepane is sourced from PubChem (CID 83262245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).