N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine

C15H21F2N — CID 55091377

IUPACN-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
SMILESFc1cc(F)cc(CCNC2CCCCCC2)c1
InChIInChI=1S/C15H21F2N/c16-13-9-12(10-14(17)11-13)7-8-18-15-5-3-1-2-4-6-15/h9-11,15,18H,1-8H2
InChIKeyVZJVRYSZRFDMRY-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.82
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine

N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine (PubChem CID 55091377) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
PubChem CID55091377
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
SMILESFc1cc(F)cc(CCNC2CCCCCC2)c1
InChIInChI=1S/C15H21F2N/c16-13-9-12(10-14(17)11-13)7-8-18-15-5-3-1-2-4-6-15/h9-11,15,18H,1-8H2
InChIKeyVZJVRYSZRFDMRY-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine (CID 55091377) is N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine is Fc1cc(F)cc(CCNC2CCCCCC2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine?
The InChIKey is VZJVRYSZRFDMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-13-9-12(10-14(17)11-13)7-8-18-15-5-3-1-2-4-6-15/h9-11,15,18H,1-8H2.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine?
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine has a molecular weight of 253.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine is sourced from PubChem (CID 55091377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).