N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine

C18H25F2N — CID 65304618

IUPACN-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine
SMILESFc1ccc(CCC2(CCNC3CC3)CCCC2)c(F)c1
InChIInChI=1S/C18H25F2N/c19-15-4-3-14(17(20)13-15)7-10-18(8-1-2-9-18)11-12-21-16-5-6-16/h3-4,13,16,21H,1-2,5-12H2
InChIKeyRFOWUDRVQABKBN-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.60
Rot. Bonds7

About N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine

N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine (PubChem CID 65304618) has the molecular formula C18H25F2N and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine
PubChem CID65304618
Molecular FormulaC18H25F2N
Molecular Weight293.40 g/mol
Exact Mass293.20
IUPAC NameN-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine
SMILESFc1ccc(CCC2(CCNC3CC3)CCCC2)c(F)c1
InChIInChI=1S/C18H25F2N/c19-15-4-3-14(17(20)13-15)7-10-18(8-1-2-9-18)11-12-21-16-5-6-16/h3-4,13,16,21H,1-2,5-12H2
InChIKeyRFOWUDRVQABKBN-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine (CID 65304618) is N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine is Fc1ccc(CCC2(CCNC3CC3)CCCC2)c(F)c1.
What is the InChIKey of N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
The InChIKey is RFOWUDRVQABKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N/c19-15-4-3-14(17(20)13-15)7-10-18(8-1-2-9-18)11-12-21-16-5-6-16/h3-4,13,16,21H,1-2,5-12H2.
What are the key properties of N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine?
N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine has a molecular weight of 293.40 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,4-difluorophenyl)ethyl]cyclopentyl]ethyl]cyclopropanamine is sourced from PubChem (CID 65304618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).