N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine

C12H14ClF2N — CID 82781872

IUPACN-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
SMILESFc1cc(CNC2CCCC2)c(F)cc1Cl
InChIInChI=1S/C12H14ClF2N/c13-10-6-11(14)8(5-12(10)15)7-16-9-3-1-2-4-9/h5-6,9,16H,1-4,7H2
InChIKeyFJSWIFPSOKPKKB-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.65
Rot. Bonds3

About N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine

N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine (PubChem CID 82781872) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
PubChem CID82781872
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC NameN-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
SMILESFc1cc(CNC2CCCC2)c(F)cc1Cl
InChIInChI=1S/C12H14ClF2N/c13-10-6-11(14)8(5-12(10)15)7-16-9-3-1-2-4-9/h5-6,9,16H,1-4,7H2
InChIKeyFJSWIFPSOKPKKB-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405315
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(2,4,6-trifluorophenyl)methyl]cycloheptanamine
CID 65099214
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
3-[(cyclooctylamino)methyl]-4-fluorobenzonitrile
CID 28575792
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine (CID 82781872) is N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine is Fc1cc(CNC2CCCC2)c(F)cc1Cl.
What is the InChIKey of N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine?
The InChIKey is FJSWIFPSOKPKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-6-11(14)8(5-12(10)15)7-16-9-3-1-2-4-9/h5-6,9,16H,1-4,7H2.
What are the key properties of N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine?
N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine has a molecular weight of 245.70 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 82781872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).