N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine

C14H17ClF3N — CID 28950754

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine
SMILESFC(F)(F)c1cccc(Cl)c1NC1CCCCCC1
InChIInChI=1S/C14H17ClF3N/c15-12-9-5-8-11(14(16,17)18)13(12)19-10-6-3-1-2-4-7-10/h5,8-10,19H,1-4,6-7H2
InChIKeyODIYERNLZDZDCC-UHFFFAOYSA-N
MW291.74 g/mol
LogP5.49
Rot. Bonds2

About N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine

N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine (PubChem CID 28950754) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine
PubChem CID28950754
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine
SMILESFC(F)(F)c1cccc(Cl)c1NC1CCCCCC1
InChIInChI=1S/C14H17ClF3N/c15-12-9-5-8-11(14(16,17)18)13(12)19-10-6-3-1-2-4-7-10/h5,8-10,19H,1-4,6-7H2
InChIKeyODIYERNLZDZDCC-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.74
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine (CID 28950754) is N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine is FC(F)(F)c1cccc(Cl)c1NC1CCCCCC1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine?
The InChIKey is ODIYERNLZDZDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c15-12-9-5-8-11(14(16,17)18)13(12)19-10-6-3-1-2-4-7-10/h5,8-10,19H,1-4,6-7H2.
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine?
N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine has a molecular weight of 291.74 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]cycloheptanamine is sourced from PubChem (CID 28950754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).