2-(4-fluorophenyl)-1-(2-methylpropyl)azepane

C16H24FN — CID 90816221

IUPAC2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
SMILESCC(C)CN1CCCCCC1c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-13(2)12-18-11-5-3-4-6-16(18)14-7-9-15(17)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyRUWYFPIDGYDVAA-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.40
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane

2-(4-fluorophenyl)-1-(2-methylpropyl)azepane (PubChem CID 90816221) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
PubChem CID90816221
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
SMILESCC(C)CN1CCCCCC1c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-13(2)12-18-11-5-3-4-6-16(18)14-7-9-15(17)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyRUWYFPIDGYDVAA-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine
CID 90895663
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole
CID 25285275
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110883592
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane (CID 90816221) is 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane is CC(C)CN1CCCCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane?
The InChIKey is RUWYFPIDGYDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-13(2)12-18-11-5-3-4-6-16(18)14-7-9-15(17)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane?
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane has a molecular weight of 249.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methylpropyl)azepane is sourced from PubChem (CID 90816221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).