N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine

C15H21F2N — CID 98016483

IUPACN-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
SMILESFc1ccc(CCCCNC2CCCC2)cc1F
InChIInChI=1S/C15H21F2N/c16-14-9-8-12(11-15(14)17)5-3-4-10-18-13-6-1-2-7-13/h8-9,11,13,18H,1-7,10H2
InChIKeyCDQIGQZOLNGTRF-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.82
Rot. Bonds6

About N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine

N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine (PubChem CID 98016483) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
PubChem CID98016483
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
SMILESFc1ccc(CCCCNC2CCCC2)cc1F
InChIInChI=1S/C15H21F2N/c16-14-9-8-12(11-15(14)17)5-3-4-10-18-13-6-1-2-7-13/h8-9,11,13,18H,1-7,10H2
InChIKeyCDQIGQZOLNGTRF-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine?
The IUPAC name of N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine (CID 98016483) is N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine is Fc1ccc(CCCCNC2CCCC2)cc1F.
What is the InChIKey of N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine?
The InChIKey is CDQIGQZOLNGTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-14-9-8-12(11-15(14)17)5-3-4-10-18-13-6-1-2-7-13/h8-9,11,13,18H,1-7,10H2.
What are the key properties of N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine?
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine has a molecular weight of 253.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine is sourced from PubChem (CID 98016483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).