N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine

C13H17ClFN — CID 60984156

IUPACN-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
SMILESFc1cccc(Cl)c1CCNC1CCCC1
InChIInChI=1S/C13H17ClFN/c14-12-6-3-7-13(15)11(12)8-9-16-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyDNNNSHMRYIIUEX-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine

N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine (PubChem CID 60984156) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
PubChem CID60984156
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
SMILESFc1cccc(Cl)c1CCNC1CCCC1
InChIInChI=1S/C13H17ClFN/c14-12-6-3-7-13(15)11(12)8-9-16-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyDNNNSHMRYIIUEX-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014979
2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
CID 94682382
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
CID 83051103
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82498246
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine (CID 60984156) is N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine is Fc1cccc(Cl)c1CCNC1CCCC1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine?
The InChIKey is DNNNSHMRYIIUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-12-6-3-7-13(15)11(12)8-9-16-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine?
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine has a molecular weight of 241.74 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine is sourced from PubChem (CID 60984156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).