2-(3-fluoro-5-methylphenyl)-2-methylazepane

C14H20FN — CID 79704728

IUPAC2-(3-fluoro-5-methylphenyl)-2-methylazepane
SMILESCc1cc(F)cc(C2(C)CCCCCN2)c1
InChIInChI=1S/C14H20FN/c1-11-8-12(10-13(15)9-11)14(2)6-4-3-5-7-16-14/h8-10,16H,3-7H2,1-2H3
InChIKeyHSCSNHUISHJFAE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.51
Rot. Bonds1

About 2-(3-fluoro-5-methylphenyl)-2-methylazepane

2-(3-fluoro-5-methylphenyl)-2-methylazepane (PubChem CID 79704728) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-2-methylazepane.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-2-methylazepane
PubChem CID79704728
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-(3-fluoro-5-methylphenyl)-2-methylazepane
SMILESCc1cc(F)cc(C2(C)CCCCCN2)c1
InChIInChI=1S/C14H20FN/c1-11-8-12(10-13(15)9-11)14(2)6-4-3-5-7-16-14/h8-10,16H,3-7H2,1-2H3
InChIKeyHSCSNHUISHJFAE-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-2-methylazepane?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-2-methylazepane (CID 79704728) is 2-(3-fluoro-5-methylphenyl)-2-methylazepane.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-2-methylazepane?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-2-methylazepane is Cc1cc(F)cc(C2(C)CCCCCN2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-2-methylazepane?
The InChIKey is HSCSNHUISHJFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-8-12(10-13(15)9-11)14(2)6-4-3-5-7-16-14/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-2-methylazepane?
2-(3-fluoro-5-methylphenyl)-2-methylazepane has a molecular weight of 221.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-2-methylazepane is sourced from PubChem (CID 79704728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).