N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine

C12H15ClFN — CID 81453825

IUPACN-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
SMILESFc1cccc(CNC2CCCC2)c1Cl
InChIInChI=1S/C12H15ClFN/c13-12-9(4-3-7-11(12)14)8-15-10-5-1-2-6-10/h3-4,7,10,15H,1-2,5-6,8H2
InChIKeyIXZBKNKZZUWMNP-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.51
Rot. Bonds3

About N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine

N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine (PubChem CID 81453825) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
PubChem CID81453825
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
SMILESFc1cccc(CNC2CCCC2)c1Cl
InChIInChI=1S/C12H15ClFN/c13-12-9(4-3-7-11(12)14)8-15-10-5-1-2-6-10/h3-4,7,10,15H,1-2,5-6,8H2
InChIKeyIXZBKNKZZUWMNP-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 112651890
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 112654505
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine (CID 81453825) is N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine is Fc1cccc(CNC2CCCC2)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine?
The InChIKey is IXZBKNKZZUWMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-12-9(4-3-7-11(12)14)8-15-10-5-1-2-6-10/h3-4,7,10,15H,1-2,5-6,8H2.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine?
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine has a molecular weight of 227.71 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 81453825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).