N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine

C17H23F2N — CID 81026617

IUPACN-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
SMILESFc1ccc(C2CCCCCC2CNC2CC2)c(F)c1
InChIInChI=1S/C17H23F2N/c18-13-6-9-16(17(19)10-13)15-5-3-1-2-4-12(15)11-20-14-7-8-14/h6,9-10,12,14-15,20H,1-5,7-8,11H2
InChIKeyQXJDFXGOYHGQRU-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.38
Rot. Bonds4

About N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 81026617) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID81026617
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC NameN-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
SMILESFc1ccc(C2CCCCCC2CNC2CC2)c(F)c1
InChIInChI=1S/C17H23F2N/c18-13-6-9-16(17(19)10-13)15-5-3-1-2-4-12(15)11-20-14-7-8-14/h6,9-10,12,14-15,20H,1-5,7-8,11H2
InChIKeyQXJDFXGOYHGQRU-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine (CID 81026617) is N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine is Fc1ccc(C2CCCCCC2CNC2CC2)c(F)c1.
What is the InChIKey of N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is QXJDFXGOYHGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c18-13-6-9-16(17(19)10-13)15-5-3-1-2-4-12(15)11-20-14-7-8-14/h6,9-10,12,14-15,20H,1-5,7-8,11H2.
What are the key properties of N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 279.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81026617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).