[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine

C14H19ClFN — CID 81011067

IUPAC[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFN/c15-11-6-7-13(14(16)8-11)12-5-3-1-2-4-10(12)9-17/h6-8,10,12H,1-5,9,17H2
InChIKeyGWTMROQOZCNEEB-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.10
Rot. Bonds2

About [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine

[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine (PubChem CID 81011067) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine
PubChem CID81011067
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFN/c15-11-6-7-13(14(16)8-11)12-5-3-1-2-4-10(12)9-17/h6-8,10,12H,1-5,9,17H2
InChIKeyGWTMROQOZCNEEB-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine (CID 81011067) is [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine is NCC1CCCCCC1c1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine?
The InChIKey is GWTMROQOZCNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-11-6-7-13(14(16)8-11)12-5-3-1-2-4-10(12)9-17/h6-8,10,12H,1-5,9,17H2.
What are the key properties of [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine?
[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine has a molecular weight of 255.76 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine is sourced from PubChem (CID 81011067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).